4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide

C18H28ClN3O — CID 120565429

IUPAC4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide
SMILESCC(N)CCC(=O)NCC1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H28ClN3O/c1-14(20)6-7-18(23)21-12-15-8-10-22(11-9-15)13-16-4-2-3-5-17(16)19/h2-5,14-15H,6-13,20H2,1H3,(H,21,23)
InChIKeyNGBSPYKZYIMJMM-UHFFFAOYSA-N
MW337.89 g/mol
LogP2.80
Rot. Bonds7

About 4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide

4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide (PubChem CID 120565429) has the molecular formula C18H28ClN3O and a molecular weight of 337.89 g/mol. Its IUPAC name is 4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide
PubChem CID120565429
Molecular FormulaC18H28ClN3O
Molecular Weight337.89 g/mol
Exact Mass337.19
IUPAC Name4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide
SMILESCC(N)CCC(=O)NCC1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H28ClN3O/c1-14(20)6-7-18(23)21-12-15-8-10-22(11-9-15)13-16-4-2-3-5-17(16)19/h2-5,14-15H,6-13,20H2,1H3,(H,21,23)
InChIKeyNGBSPYKZYIMJMM-UHFFFAOYSA-N
XLogP2.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 119879595
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide
CID 120565155
trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 124699225
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 119879572
3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 56704613
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 120565090
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 120565089
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide
CID 119879576
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119879575
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 136524248
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride
CID 119879593

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide?
The IUPAC name of 4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide (CID 120565429) is 4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide?
The canonical SMILES for 4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide is CC(N)CCC(=O)NCC1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide?
The InChIKey is NGBSPYKZYIMJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O/c1-14(20)6-7-18(23)21-12-15-8-10-22(11-9-15)13-16-4-2-3-5-17(16)19/h2-5,14-15H,6-13,20H2,1H3,(H,21,23).
What are the key properties of 4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide?
4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide has a molecular weight of 337.89 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide is sourced from PubChem (CID 120565429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).