4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride

C17H29Cl2N3O — CID 119844974

IUPAC4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
SMILESCC1CCCCN1Cc1ccc(NC(=O)CCCN)cc1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-14-5-2-3-12-20(14)13-15-7-9-16(10-8-15)19-17(21)6-4-11-18;;/h7-10,14H,2-6,11-13,18H2,1H3,(H,19,21);2*1H
InChIKeyLDHCQHMBAWCKFY-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.58
Rot. Bonds6

About 4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride

4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride (PubChem CID 119844974) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is 4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
PubChem CID119844974
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
SMILESCC1CCCCN1Cc1ccc(NC(=O)CCCN)cc1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-14-5-2-3-12-20(14)13-15-7-9-16(10-8-15)19-17(21)6-4-11-18;;/h7-10,14H,2-6,11-13,18H2,1H3,(H,19,21);2*1H
InChIKeyLDHCQHMBAWCKFY-UHFFFAOYSA-N
XLogP3.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
CID 119845230
2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928
(2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 119844945
4-(aminomethyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]oxane-4-carboxamide;dihydrochloride
CID 120938863
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 55868982
N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882030
7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride
CID 119712957
2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119946474
1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872164
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 119844949
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 55972021
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55869752

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride (CID 119844974) is 4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride is CC1CCCCN1Cc1ccc(NC(=O)CCCN)cc1.Cl.Cl.
What is the InChIKey of 4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride?
The InChIKey is LDHCQHMBAWCKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-14-5-2-3-12-20(14)13-15-7-9-16(10-8-15)19-17(21)6-4-11-18;;/h7-10,14H,2-6,11-13,18H2,1H3,(H,19,21);2*1H.
What are the key properties of 4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride?
4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride is sourced from PubChem (CID 119844974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).