N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride

C20H31ClN2O2 — CID 119692017

IUPACN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOc1ccc(CN(C(=O)CC(C)C2CCCNC2)C2CC2)cc1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-15(17-4-3-11-21-13-17)12-20(23)22(18-7-8-18)14-16-5-9-19(24-2)10-6-16;/h5-6,9-10,15,17-18,21H,3-4,7-8,11-14H2,1-2H3;1H
InChIKeyMYAYKVVAYXTOEK-UHFFFAOYSA-N
MW366.93 g/mol
LogP3.63
Rot. Bonds7

About N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119692017) has the molecular formula C20H31ClN2O2 and a molecular weight of 366.93 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119692017
Molecular FormulaC20H31ClN2O2
Molecular Weight366.93 g/mol
Exact Mass366.21
IUPAC NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOc1ccc(CN(C(=O)CC(C)C2CCCNC2)C2CC2)cc1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-15(17-4-3-11-21-13-17)12-20(23)22(18-7-8-18)14-16-5-9-19(24-2)10-6-16;/h5-6,9-10,15,17-18,21H,3-4,7-8,11-14H2,1-2H3;1H
InChIKeyMYAYKVVAYXTOEK-UHFFFAOYSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.93
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119717349
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119765845
N-cyclopropyl-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide
CID 81043582
N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 81049753
N-cyclopropyl-N-(2-hydroxyethyl)-3-piperidin-3-ylbutanamide
CID 81044178
2-(4-methoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119473969
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119692035
N-benzyl-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119681552
N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide
CID 119687832
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119693479
N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119807774

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119692017) is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride is COc1ccc(CN(C(=O)CC(C)C2CCCNC2)C2CC2)cc1.Cl.
What is the InChIKey of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is MYAYKVVAYXTOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2.ClH/c1-15(17-4-3-11-21-13-17)12-20(23)22(18-7-8-18)14-16-5-9-19(24-2)10-6-16;/h5-6,9-10,15,17-18,21H,3-4,7-8,11-14H2,1-2H3;1H.
What are the key properties of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 366.93 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119692017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).