(3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide

C25H41N5O — CID 29258017

IUPAC(3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide
SMILESCCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C25H41N5O/c1-3-28(19-21-9-17-29(18-10-21)23-11-15-27(2)16-12-23)25(31)22-7-6-14-30(20-22)24-8-4-5-13-26-24/h4-5,8,13,21-23H,3,6-7,9-12,14-20H2,1-2H3/t22-/m0/s1
InChIKeyMQXZMAMUULHEDG-QFIPXVFZSA-N
MW427.64 g/mol
LogP2.95
Rot. Bonds6

About (3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide

(3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 29258017) has the molecular formula C25H41N5O and a molecular weight of 427.64 g/mol. Its IUPAC name is (3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID29258017
Molecular FormulaC25H41N5O
Molecular Weight427.64 g/mol
Exact Mass427.33
IUPAC Name(3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide
SMILESCCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C25H41N5O/c1-3-28(19-21-9-17-29(18-10-21)23-11-15-27(2)16-12-23)25(31)22-7-6-14-30(20-22)24-8-4-5-13-26-24/h4-5,8,13,21-23H,3,6-7,9-12,14-20H2,1-2H3/t22-/m0/s1
InChIKeyMQXZMAMUULHEDG-QFIPXVFZSA-N
XLogP2.95
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.64
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 28822083
N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide
CID 26402693
(3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 7047247
N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 6456406
2-amino-N-ethyl-2-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide
CID 120597131
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride
CID 119891442
(2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide
CID 119891501
N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide
CID 71993309
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
(3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 94824323
7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide
CID 119891435

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide (CID 29258017) is (3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide is CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)[C@H]1CCCN(c2ccccn2)C1.
What is the InChIKey of (3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is MQXZMAMUULHEDG-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H41N5O/c1-3-28(19-21-9-17-29(18-10-21)23-11-15-27(2)16-12-23)25(31)22-7-6-14-30(20-22)24-8-4-5-13-26-24/h4-5,8,13,21-23H,3,6-7,9-12,14-20H2,1-2H3/t22-/m0/s1.
What are the key properties of (3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
(3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 427.64 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 29258017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).