(3R)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

C23H36N4O2 — CID 96575311

IUPAC(3R)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCC1(N(C)C(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1
InChIInChI=1S/C23H36N4O2/c1-25(23(9-10-23)18-29-2)22(28)20-6-4-12-27(17-20)21-7-13-26(14-8-21)16-19-5-3-11-24-15-19/h3,5,11,15,20-21H,4,6-10,12-14,16-18H2,1-2H3/t20-/m1/s1
InChIKeyIYQRYSKOEDXMNR-HXUWFJFHSA-N
MW400.57 g/mol
LogP2.40
Rot. Bonds7

About (3R)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

(3R)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 96575311) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is (3R)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID96575311
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name(3R)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCC1(N(C)C(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1
InChIInChI=1S/C23H36N4O2/c1-25(23(9-10-23)18-29-2)22(28)20-6-4-12-27(17-20)21-7-13-26(14-8-21)16-19-5-3-11-24-15-19/h3,5,11,15,20-21H,4,6-10,12-14,16-18H2,1-2H3/t20-/m1/s1
InChIKeyIYQRYSKOEDXMNR-HXUWFJFHSA-N
XLogP2.40
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-(2-methoxyethyl)-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95551862
N-methyl-N-(pyridin-3-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70776101
N-ethyl-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56864333
(3S)-N-ethyl-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95463543
(3S)-N-(cyclopropylmethyl)-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96571064
(3R)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95562765
(2,2-dimethylpyrrolidin-1-yl)-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 70729622
piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56870645
azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96573815
(3S)-N-(2-methoxyethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95218435
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70710902
[4-(2-methoxyethyl)piperidin-1-yl]-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96577997

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 96575311) is (3R)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is COCC1(N(C)C(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1.
What is the InChIKey of (3R)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is IYQRYSKOEDXMNR-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-25(23(9-10-23)18-29-2)22(28)20-6-4-12-27(17-20)21-7-13-26(14-8-21)16-19-5-3-11-24-15-19/h3,5,11,15,20-21H,4,6-10,12-14,16-18H2,1-2H3/t20-/m1/s1.
What are the key properties of (3R)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
(3R)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 400.57 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 96575311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).