3-[(4-methylpiperidin-1-yl)methyl]-N-(1-pyridin-3-ylethyl)piperidine-1-carboxamide

C20H32N4O — CID 56825492

IUPAC3-[(4-methylpiperidin-1-yl)methyl]-N-(1-pyridin-3-ylethyl)piperidine-1-carboxamide
SMILESCC1CCN(CC2CCCN(C(=O)NC(C)c3cccnc3)C2)CC1
InChIInChI=1S/C20H32N4O/c1-16-7-11-23(12-8-16)14-18-5-4-10-24(15-18)20(25)22-17(2)19-6-3-9-21-13-19/h3,6,9,13,16-18H,4-5,7-8,10-12,14-15H2,1-2H3,(H,22,25)
InChIKeyPJBQAQNLCQVSLE-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.30
Rot. Bonds4

About 3-[(4-methylpiperidin-1-yl)methyl]-N-(1-pyridin-3-ylethyl)piperidine-1-carboxamide

3-[(4-methylpiperidin-1-yl)methyl]-N-(1-pyridin-3-ylethyl)piperidine-1-carboxamide (PubChem CID 56825492) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 3-[(4-methylpiperidin-1-yl)methyl]-N-(1-pyridin-3-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-methylpiperidin-1-yl)methyl]-N-(1-pyridin-3-ylethyl)piperidine-1-carboxamide
PubChem CID56825492
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name3-[(4-methylpiperidin-1-yl)methyl]-N-(1-pyridin-3-ylethyl)piperidine-1-carboxamide
SMILESCC1CCN(CC2CCCN(C(=O)NC(C)c3cccnc3)C2)CC1
InChIInChI=1S/C20H32N4O/c1-16-7-11-23(12-8-16)14-18-5-4-10-24(15-18)20(25)22-17(2)19-6-3-9-21-13-19/h3,6,9,13,16-18H,4-5,7-8,10-12,14-15H2,1-2H3,(H,22,25)
InChIKeyPJBQAQNLCQVSLE-UHFFFAOYSA-N
XLogP3.30
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide
CID 97089224
1-(3-methylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one
CID 110649410
3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119867570
(3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 52505386
3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 119953477
1-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(1-pyridin-3-ylethyl)urea
CID 56827109
1-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95598516
N,N-dimethyl-2-[4-(1-pyridin-3-ylethylamino)piperidin-1-yl]acetamide
CID 43768106
N,N-dimethyl-2-[4-[[(1R)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]acetamide
CID 81393597
N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 115576612
(3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 100671853
2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404899

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperidin-1-yl)methyl]-N-(1-pyridin-3-ylethyl)piperidine-1-carboxamide?
The IUPAC name of 3-[(4-methylpiperidin-1-yl)methyl]-N-(1-pyridin-3-ylethyl)piperidine-1-carboxamide (CID 56825492) is 3-[(4-methylpiperidin-1-yl)methyl]-N-(1-pyridin-3-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[(4-methylpiperidin-1-yl)methyl]-N-(1-pyridin-3-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[(4-methylpiperidin-1-yl)methyl]-N-(1-pyridin-3-ylethyl)piperidine-1-carboxamide is CC1CCN(CC2CCCN(C(=O)NC(C)c3cccnc3)C2)CC1.
What is the InChIKey of 3-[(4-methylpiperidin-1-yl)methyl]-N-(1-pyridin-3-ylethyl)piperidine-1-carboxamide?
The InChIKey is PJBQAQNLCQVSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-16-7-11-23(12-8-16)14-18-5-4-10-24(15-18)20(25)22-17(2)19-6-3-9-21-13-19/h3,6,9,13,16-18H,4-5,7-8,10-12,14-15H2,1-2H3,(H,22,25).
What are the key properties of 3-[(4-methylpiperidin-1-yl)methyl]-N-(1-pyridin-3-ylethyl)piperidine-1-carboxamide?
3-[(4-methylpiperidin-1-yl)methyl]-N-(1-pyridin-3-ylethyl)piperidine-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperidin-1-yl)methyl]-N-(1-pyridin-3-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 56825492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).