N,4-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide

C18H29N3O — CID 60605546

IUPACN,4-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
SMILESCC(C)CCC(=O)N(C)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C18H29N3O/c1-15(2)4-5-18(22)20(3)17-8-12-21(13-9-17)14-16-6-10-19-11-7-16/h6-7,10-11,15,17H,4-5,8-9,12-14H2,1-3H3
InChIKeyKVHUTHIVRAYESI-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.94
Rot. Bonds6

About N,4-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide

N,4-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide (PubChem CID 60605546) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N,4-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
PubChem CID60605546
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN,4-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
SMILESCC(C)CCC(=O)N(C)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C18H29N3O/c1-15(2)4-5-18(22)20(3)17-8-12-21(13-9-17)14-16-6-10-19-11-7-16/h6-7,10-11,15,17H,4-5,8-9,12-14H2,1-3H3
InChIKeyKVHUTHIVRAYESI-UHFFFAOYSA-N
XLogP2.94
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide
CID 120565396
2-tert-butylsulfanyl-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 60605574
(2S)-2-(cyclopropylmethoxy)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 95150991
4-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 120564614
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
4-methoxy-N-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]butanamide
CID 51102733
N-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 46054712
N-(1,1-dioxothian-4-yl)-N-methyl-3-pyridin-4-ylpropanamide
CID 118780482
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
N,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 171328091
N-[(4S,5S)-5-hydroxy-1-(pyridin-4-ylmethyl)azepan-4-yl]-2-methylpropanamide
CID 110126651
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide?
The IUPAC name of N,4-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide (CID 60605546) is N,4-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide.
What is the SMILES notation for N,4-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide?
The canonical SMILES for N,4-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide is CC(C)CCC(=O)N(C)C1CCN(Cc2ccncc2)CC1.
What is the InChIKey of N,4-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide?
The InChIKey is KVHUTHIVRAYESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-15(2)4-5-18(22)20(3)17-8-12-21(13-9-17)14-16-6-10-19-11-7-16/h6-7,10-11,15,17H,4-5,8-9,12-14H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide?
N,4-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide has a molecular weight of 303.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide is sourced from PubChem (CID 60605546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).