N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride

C19H40Cl2N4O — CID 119862726

IUPACN-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCC1CCN(CCN(C)C)CC1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C19H38N4O.2ClH/c1-16(18-4-8-20-9-5-18)14-19(24)21-15-17-6-10-23(11-7-17)13-12-22(2)3;;/h16-18,20H,4-15H2,1-3H3,(H,21,24);2*1H
InChIKeyNIGZYHYYKAKAFN-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.25
Rot. Bonds8

About N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride

N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119862726) has the molecular formula C19H40Cl2N4O and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119862726
Molecular FormulaC19H40Cl2N4O
Molecular Weight411.46 g/mol
Exact Mass410.26
IUPAC NameN-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCC1CCN(CCN(C)C)CC1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C19H38N4O.2ClH/c1-16(18-4-8-20-9-5-18)14-19(24)21-15-17-6-10-23(11-7-17)13-12-22(2)3;;/h16-18,20H,4-15H2,1-3H3,(H,21,24);2*1H
InChIKeyNIGZYHYYKAKAFN-UHFFFAOYSA-N
XLogP2.25
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885145
N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119741883
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide
CID 119862705
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119862739
N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide
CID 119901093
N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 81047419
N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide
CID 119871037
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119870176
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119852053
(2S,4S)-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120645262
N-[(1-butylpiperidin-2-yl)methyl]-3-piperidin-4-ylbutanamide
CID 119866856
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119862726) is N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride is CC(CC(=O)NCC1CCN(CCN(C)C)CC1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is NIGZYHYYKAKAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O.2ClH/c1-16(18-4-8-20-9-5-18)14-19(24)21-15-17-6-10-23(11-7-17)13-12-22(2)3;;/h16-18,20H,4-15H2,1-3H3,(H,21,24);2*1H.
What are the key properties of N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 411.46 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119862726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).