3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride

C16H25ClN2O3 — CID 119425554

IUPAC3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
SMILESCOc1cc(CCC(=O)NC2CCCNC2)cc(OC)c1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-20-14-8-12(9-15(10-14)21-2)5-6-16(19)18-13-4-3-7-17-11-13;/h8-10,13,17H,3-7,11H2,1-2H3,(H,18,19);1H
InChIKeyNKSKZUYUQRVUQN-UHFFFAOYSA-N
MW328.84 g/mol
LogP1.93
Rot. Bonds6

About 3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride

3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride (PubChem CID 119425554) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
PubChem CID119425554
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
SMILESCOc1cc(CCC(=O)NC2CCCNC2)cc(OC)c1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-20-14-8-12(9-15(10-14)21-2)5-6-16(19)18-13-4-3-7-17-11-13;/h8-10,13,17H,3-7,11H2,1-2H3,(H,18,19);1H
InChIKeyNKSKZUYUQRVUQN-UHFFFAOYSA-N
XLogP1.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428341
N-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119425485
3-(4-methoxyphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424848
3,5-dimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424226
N-piperidin-3-yl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119427303
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride
CID 119426453
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide
CID 119426454
3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride
CID 119427806
3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453910
3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119424304
3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 91645265
3-(4-methoxyphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388852

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride (CID 119425554) is 3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride is COc1cc(CCC(=O)NC2CCCNC2)cc(OC)c1.Cl.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride?
The InChIKey is NKSKZUYUQRVUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-20-14-8-12(9-15(10-14)21-2)5-6-16(19)18-13-4-3-7-17-11-13;/h8-10,13,17H,3-7,11H2,1-2H3,(H,18,19);1H.
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride?
3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119425554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).