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

C18H37Cl2N3O — CID 119885145

IUPACN-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(C)CN1CCC(CNC(=O)CC(C)C2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C18H35N3O.2ClH/c1-14(2)12-21-9-6-16(13-21)11-20-18(22)10-15(3)17-4-7-19-8-5-17;;/h14-17,19H,4-13H2,1-3H3,(H,20,22);2*1H
InChIKeyYRIXLXMXBCTMGE-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.95
Rot. Bonds7

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

N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119885145) has the molecular formula C18H37Cl2N3O and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119885145
Molecular FormulaC18H37Cl2N3O
Molecular Weight382.42 g/mol
Exact Mass381.23
IUPAC NameN-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(C)CN1CCC(CNC(=O)CC(C)C2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C18H35N3O.2ClH/c1-14(2)12-21-9-6-16(13-21)11-20-18(22)10-15(3)17-4-7-19-8-5-17;;/h14-17,19H,4-13H2,1-3H3,(H,20,22);2*1H
InChIKeyYRIXLXMXBCTMGE-UHFFFAOYSA-N
XLogP2.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119862726
N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119741883
7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride
CID 119885095
N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide
CID 119871037
N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 81047419
(2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 119885169
N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-4-ylbutanamide
CID 119869028
N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide
CID 119901093
N-(2,3-dimethylbutyl)-3-piperidin-4-ylbutanamide
CID 119796514
N-[(1-butylpiperidin-2-yl)methyl]-3-piperidin-4-ylbutanamide
CID 119866856
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583
N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(piperidin-4-ylamino)pyridine-3-carboxamide
CID 95555888

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119885145) is N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride is CC(C)CN1CCC(CNC(=O)CC(C)C2CCNCC2)C1.Cl.Cl.
What is the InChIKey of N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is YRIXLXMXBCTMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O.2ClH/c1-14(2)12-21-9-6-16(13-21)11-20-18(22)10-15(3)17-4-7-19-8-5-17;;/h14-17,19H,4-13H2,1-3H3,(H,20,22);2*1H.
What are the key properties of N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 382.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119885145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).