N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride

C17H31ClN2O — CID 119791148

IUPACN,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(CC1CC1)CC1CC1)C1CCCNC1.Cl
InChIInChI=1S/C17H30N2O.ClH/c1-13(16-3-2-8-18-10-16)9-17(20)19(11-14-4-5-14)12-15-6-7-15;/h13-16,18H,2-12H2,1H3;1H
InChIKeyVEVSDLFUAXNARO-UHFFFAOYSA-N
MW314.90 g/mol
LogP3.08
Rot. Bonds7

About N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride

N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119791148) has the molecular formula C17H31ClN2O and a molecular weight of 314.90 g/mol. Its IUPAC name is N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119791148
Molecular FormulaC17H31ClN2O
Molecular Weight314.90 g/mol
Exact Mass314.21
IUPAC NameN,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(CC1CC1)CC1CC1)C1CCCNC1.Cl
InChIInChI=1S/C17H30N2O.ClH/c1-13(16-3-2-8-18-10-16)9-17(20)19(11-14-4-5-14)12-15-6-7-15;/h13-16,18H,2-12H2,1H3;1H
InChIKeyVEVSDLFUAXNARO-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.90
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-piperidin-3-yl-N,N-dipropylbutanamide
CID 81043811
N-ethyl-N-(2-ethylbutyl)-3-piperidin-3-ylbutanamide
CID 81044581
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
3-piperidin-3-ylbutanoic acid
CID 71691534
2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid
CID 81043537
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119855915
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
N-(2-amino-2-oxoethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81044730
3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide
CID 81043730
N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 115738604

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119791148) is N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)N(CC1CC1)CC1CC1)C1CCCNC1.Cl.
What is the InChIKey of N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is VEVSDLFUAXNARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O.ClH/c1-13(16-3-2-8-18-10-16)9-17(20)19(11-14-4-5-14)12-15-6-7-15;/h13-16,18H,2-12H2,1H3;1H.
What are the key properties of N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 314.90 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119791148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).