N-[(2S,6R)-5-hydroxy-4-methyl-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;methylcyclopropane

C31H40N4O4 — CID 142953954

IUPACN-[(2S,6R)-5-hydroxy-4-methyl-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;methylcyclopropane
SMILESCC1CC1.CN1C[C@H](c2ccccc2)OC[C@@H](NC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C1O
InChIInChI=1S/C27H32N4O4.C4H8/c1-30-16-24(19-7-3-2-4-8-19)35-17-23(26(30)33)29-27(34)31-13-11-18(12-14-31)21-15-20-9-5-6-10-22(20)28-25(21)32;1-4-2-3-4/h2-10,15,18,23-24,26,33H,11-14,16-17H2,1H3,(H,28,32)(H,29,34);4H,2-3H2,1H3/t23-,24-,26?;/m1./s1
InChIKeyLPLFWRGQQZUENS-ANEDGXTHSA-N
MW532.69 g/mol
LogP4.22
Rot. Bonds3

About N-[(2S,6R)-5-hydroxy-4-methyl-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;methylcyclopropane

N-[(2S,6R)-5-hydroxy-4-methyl-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;methylcyclopropane (PubChem CID 142953954) has the molecular formula C31H40N4O4 and a molecular weight of 532.69 g/mol. Its IUPAC name is N-[(2S,6R)-5-hydroxy-4-methyl-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;methylcyclopropane.

Molecular Properties

Compound NameN-[(2S,6R)-5-hydroxy-4-methyl-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;methylcyclopropane
PubChem CID142953954
Molecular FormulaC31H40N4O4
Molecular Weight532.69 g/mol
Exact Mass532.30
IUPAC NameN-[(2S,6R)-5-hydroxy-4-methyl-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;methylcyclopropane
SMILESCC1CC1.CN1C[C@H](c2ccccc2)OC[C@@H](NC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C1O
InChIInChI=1S/C27H32N4O4.C4H8/c1-30-16-24(19-7-3-2-4-8-19)35-17-23(26(30)33)29-27(34)31-13-11-18(12-14-31)21-15-20-9-5-6-10-22(20)28-25(21)32;1-4-2-3-4/h2-10,15,18,23-24,26,33H,11-14,16-17H2,1H3,(H,28,32)(H,29,34);4H,2-3H2,1H3/t23-,24-,26?;/m1./s1
InChIKeyLPLFWRGQQZUENS-ANEDGXTHSA-N
XLogP4.22
TPSA97.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.69
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S,6R)-5-hydroxy-4-methyl-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;methylcyclopropane with MolForge

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Related Compounds

3-(1-aminopiperidin-4-yl)-1H-quinolin-2-one
CID 71197765
3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1H-quinolin-2-one
CID 91475456
3-(1-cyclooctylpiperidin-4-yl)-1H-quinolin-2-one
CID 91511862
3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973
3-cyclohept-4-en-1-yl-1H-quinolin-2-one
CID 71197719
3-[1-[6-(3-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one
CID 58386660
4-methyl-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 60586425
4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide
CID 136563655
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 113088297
4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide
CID 95164710
3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 57329601
ethyl 6-[4-(2-oxo-1H-quinolin-3-yl)piperidin-1-yl]pyrimidine-4-carboxylate
CID 58386736

Frequently Asked Questions

What is the IUPAC name of N-[(2S,6R)-5-hydroxy-4-methyl-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;methylcyclopropane?
The IUPAC name of N-[(2S,6R)-5-hydroxy-4-methyl-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;methylcyclopropane (CID 142953954) is N-[(2S,6R)-5-hydroxy-4-methyl-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;methylcyclopropane.
What is the SMILES notation for N-[(2S,6R)-5-hydroxy-4-methyl-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;methylcyclopropane?
The canonical SMILES for N-[(2S,6R)-5-hydroxy-4-methyl-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;methylcyclopropane is CC1CC1.CN1C[C@H](c2ccccc2)OC[C@@H](NC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C1O.
What is the InChIKey of N-[(2S,6R)-5-hydroxy-4-methyl-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;methylcyclopropane?
The InChIKey is LPLFWRGQQZUENS-ANEDGXTHSA-N. The full InChI is InChI=1S/C27H32N4O4.C4H8/c1-30-16-24(19-7-3-2-4-8-19)35-17-23(26(30)33)29-27(34)31-13-11-18(12-14-31)21-15-20-9-5-6-10-22(20)28-25(21)32;1-4-2-3-4/h2-10,15,18,23-24,26,33H,11-14,16-17H2,1H3,(H,28,32)(H,29,34);4H,2-3H2,1H3/t23-,24-,26?;/m1./s1.
What are the key properties of N-[(2S,6R)-5-hydroxy-4-methyl-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;methylcyclopropane?
N-[(2S,6R)-5-hydroxy-4-methyl-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;methylcyclopropane has a molecular weight of 532.69 g/mol, XLogP of 4.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,6R)-5-hydroxy-4-methyl-2-phenyl-1,4-oxazepan-6-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;methylcyclopropane is sourced from PubChem (CID 142953954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).