(1'R,4S)-6,7-dimethyl-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide

C23H28N4O3 — CID 128970396

IUPAC(1'R,4S)-6,7-dimethyl-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
SMILESCc1cc2c(cc1C)[C@]1(CCO2)C[C@H]1C(=O)NC1CCCN(c2ccnn2C)C1=O
InChIInChI=1S/C23H28N4O3/c1-14-11-16-19(12-15(14)2)30-10-7-23(16)13-17(23)21(28)25-18-5-4-9-27(22(18)29)20-6-8-24-26(20)3/h6,8,11-12,17-18H,4-5,7,9-10,13H2,1-3H3,(H,25,28)/t17-,18?,23-/m0/s1
InChIKeyNADQEKPOVBVZHN-IYWNWZSTSA-N
MW408.50 g/mol
LogP2.39
Rot. Bonds3

About (1'R,4S)-6,7-dimethyl-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide

(1'R,4S)-6,7-dimethyl-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (PubChem CID 128970396) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is (1'R,4S)-6,7-dimethyl-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'R,4S)-6,7-dimethyl-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
PubChem CID128970396
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name(1'R,4S)-6,7-dimethyl-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
SMILESCc1cc2c(cc1C)[C@]1(CCO2)C[C@H]1C(=O)NC1CCCN(c2ccnn2C)C1=O
InChIInChI=1S/C23H28N4O3/c1-14-11-16-19(12-15(14)2)30-10-7-23(16)13-17(23)21(28)25-18-5-4-9-27(22(18)29)20-6-8-24-26(20)3/h6,8,11-12,17-18H,4-5,7,9-10,13H2,1-3H3,(H,25,28)/t17-,18?,23-/m0/s1
InChIKeyNADQEKPOVBVZHN-IYWNWZSTSA-N
XLogP2.39
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122011576
(1'R,4S)-6,7-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 129323617
N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxolan-2-yl)methanesulfonamide
CID 129003523
(3R)-3-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1-(2-methylpyrazol-3-yl)piperidin-2-one
CID 99795179
N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
CID 129326844
(1'R,4S)-N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 124882689
1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 128999468
(E)-2-(2-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]ethenesulfonamide
CID 129002587
N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide
CID 129000198
1-(1,2-benzoxazol-3-yl)-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 129326979
1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 129000207
1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea
CID 136536189

Frequently Asked Questions

What is the IUPAC name of (1'R,4S)-6,7-dimethyl-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'R,4S)-6,7-dimethyl-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (CID 128970396) is (1'R,4S)-6,7-dimethyl-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'R,4S)-6,7-dimethyl-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'R,4S)-6,7-dimethyl-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is Cc1cc2c(cc1C)[C@]1(CCO2)C[C@H]1C(=O)NC1CCCN(c2ccnn2C)C1=O.
What is the InChIKey of (1'R,4S)-6,7-dimethyl-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The InChIKey is NADQEKPOVBVZHN-IYWNWZSTSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-14-11-16-19(12-15(14)2)30-10-7-23(16)13-17(23)21(28)25-18-5-4-9-27(22(18)29)20-6-8-24-26(20)3/h6,8,11-12,17-18H,4-5,7,9-10,13H2,1-3H3,(H,25,28)/t17-,18?,23-/m0/s1.
What are the key properties of (1'R,4S)-6,7-dimethyl-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
(1'R,4S)-6,7-dimethyl-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,4S)-6,7-dimethyl-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 128970396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).