(3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

C18H28N4O — CID 95527743

IUPAC(3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESCN1CCC(N2CCC[C@@H](C(=O)NCc3ccncc3)C2)CC1
InChIInChI=1S/C18H28N4O/c1-21-11-6-17(7-12-21)22-10-2-3-16(14-22)18(23)20-13-15-4-8-19-9-5-15/h4-5,8-9,16-17H,2-3,6-7,10-14H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyFSLNUVZNTIMCQU-MRXNPFEDSA-N
MW316.45 g/mol
LogP1.50
Rot. Bonds4

About (3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

(3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 95527743) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID95527743
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESCN1CCC(N2CCC[C@@H](C(=O)NCc3ccncc3)C2)CC1
InChIInChI=1S/C18H28N4O/c1-21-11-6-17(7-12-21)22-10-2-3-16(14-22)18(23)20-13-15-4-8-19-9-5-15/h4-5,8-9,16-17H,2-3,6-7,10-14H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyFSLNUVZNTIMCQU-MRXNPFEDSA-N
XLogP1.50
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235
N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 45245237
(3S)-N-benzyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25288590
1-(1-benzylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 45169933
(3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557331
N-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 45171198
(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
CID 95552488
(3R)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
CID 95509747
1-(1-methylpiperidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 56877502
N-butyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45204948
(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 95555545
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56873468

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (CID 95527743) is (3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is CN1CCC(N2CCC[C@@H](C(=O)NCc3ccncc3)C2)CC1.
What is the InChIKey of (3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is FSLNUVZNTIMCQU-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N4O/c1-21-11-6-17(7-12-21)22-10-2-3-16(14-22)18(23)20-13-15-4-8-19-9-5-15/h4-5,8-9,16-17H,2-3,6-7,10-14H2,1H3,(H,20,23)/t16-/m1/s1.
What are the key properties of (3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
(3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95527743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).