N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride

C19H31ClN2O2 — CID 119731938

IUPACN-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)CCCOc1ccccc1)C1CCCNC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-16(17-8-6-11-20-15-17)14-19(22)21(2)12-7-13-23-18-9-4-3-5-10-18;/h3-5,9-10,16-17,20H,6-8,11-15H2,1-2H3;1H
InChIKeyXSCSEMBVCFZGPK-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.36
Rot. Bonds8

About N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119731938) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119731938
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC NameN-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)CCCOc1ccccc1)C1CCCNC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-16(17-8-6-11-20-15-17)14-19(22)21(2)12-7-13-23-18-9-4-3-5-10-18;/h3-5,9-10,16-17,20H,6-8,11-15H2,1-2H3;1H
InChIKeyXSCSEMBVCFZGPK-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119820817
N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119821443
N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide
CID 119821444
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119736663
N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119885836
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119738443
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119746195
N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119707667
N-benzyl-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119681552
N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119753806

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119731938) is N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)N(C)CCCOc1ccccc1)C1CCCNC1.Cl.
What is the InChIKey of N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is XSCSEMBVCFZGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-16(17-8-6-11-20-15-17)14-19(22)21(2)12-7-13-23-18-9-4-3-5-10-18;/h3-5,9-10,16-17,20H,6-8,11-15H2,1-2H3;1H.
What are the key properties of N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119731938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).