(3S)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide

C20H29N5O2 — CID 125170232

IUPAC(3S)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
SMILESCCCn1nc(C)c(NC(=O)N2CCC[C@H](OCc3ccccn3)C2)c1C
InChIInChI=1S/C20H29N5O2/c1-4-11-25-16(3)19(15(2)23-25)22-20(26)24-12-7-9-18(13-24)27-14-17-8-5-6-10-21-17/h5-6,8,10,18H,4,7,9,11-14H2,1-3H3,(H,22,26)/t18-/m0/s1
InChIKeyVZGBUQXELVULEQ-SFHVURJKSA-N
MW371.49 g/mol
LogP3.52
Rot. Bonds6

About (3S)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide

(3S)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide (PubChem CID 125170232) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is (3S)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
PubChem CID125170232
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name(3S)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
SMILESCCCn1nc(C)c(NC(=O)N2CCC[C@H](OCc3ccccn3)C2)c1C
InChIInChI=1S/C20H29N5O2/c1-4-11-25-16(3)19(15(2)23-25)22-20(26)24-12-7-9-18(13-24)27-14-17-8-5-6-10-21-17/h5-6,8,10,18H,4,7,9,11-14H2,1-3H3,(H,22,26)/t18-/m0/s1
InChIKeyVZGBUQXELVULEQ-SFHVURJKSA-N
XLogP3.52
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-3-methylpyrazol-1-yl)-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 99931641
(3,5-dimethyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 127246392
2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 97134776
1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone
CID 91766002
(3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 126453895
(3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 126427006
3-(2-ethylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-1-one
CID 70711493
(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 71998730
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96576382
(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 97155827
N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 122566518
2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one
CID 99929823

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide (CID 125170232) is (3S)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide is CCCn1nc(C)c(NC(=O)N2CCC[C@H](OCc3ccccn3)C2)c1C.
What is the InChIKey of (3S)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide?
The InChIKey is VZGBUQXELVULEQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-4-11-25-16(3)19(15(2)23-25)22-20(26)24-12-7-9-18(13-24)27-14-17-8-5-6-10-21-17/h5-6,8,10,18H,4,7,9,11-14H2,1-3H3,(H,22,26)/t18-/m0/s1.
What are the key properties of (3S)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide?
(3S)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide is sourced from PubChem (CID 125170232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).