(3R)-N-(cyclopropylmethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidine-3-carboxamide

C20H28N2O3 — CID 94202656

IUPAC(3R)-N-(cyclopropylmethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidine-3-carboxamide
SMILESCOc1ccc(CCC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cc1
InChIInChI=1S/C20H28N2O3/c1-25-18-9-6-15(7-10-18)8-11-19(23)22-12-2-3-17(14-22)20(24)21-13-16-4-5-16/h6-7,9-10,16-17H,2-5,8,11-14H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyLIIQFZQAOGHNJY-QGZVFWFLSA-N
MW344.45 g/mol
LogP2.39
Rot. Bonds7

About (3R)-N-(cyclopropylmethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidine-3-carboxamide

(3R)-N-(cyclopropylmethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidine-3-carboxamide (PubChem CID 94202656) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is (3R)-N-(cyclopropylmethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(cyclopropylmethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidine-3-carboxamide
PubChem CID94202656
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name(3R)-N-(cyclopropylmethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidine-3-carboxamide
SMILESCOc1ccc(CCC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cc1
InChIInChI=1S/C20H28N2O3/c1-25-18-9-6-15(7-10-18)8-11-19(23)22-12-2-3-17(14-22)20(24)21-13-16-4-5-16/h6-7,9-10,16-17H,2-5,8,11-14H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyLIIQFZQAOGHNJY-QGZVFWFLSA-N
XLogP2.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 62535020
methyl 4-[3-[(3S)-3-(ethylcarbamoyl)piperidin-1-yl]-3-oxopropyl]benzoate
CID 95235975
(2R)-4-(4-methoxyphenyl)-2-[[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]methyl]butanoic acid
CID 70110646
(3S)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 94820613
methyl 1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate
CID 78919193
3-(4-methoxyphenyl)-1-[3-(2-methylsulfanylbenzoyl)piperidin-1-yl]propan-1-one
CID 45167786
1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 119934448
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110821946
1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62917256
N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide
CID 119479382
3-(4-methoxyphenyl)-1-(3-phenoxypiperidin-1-yl)propan-1-one
CID 110605422
(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 51508259

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(cyclopropylmethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(cyclopropylmethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidine-3-carboxamide (CID 94202656) is (3R)-N-(cyclopropylmethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(cyclopropylmethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(cyclopropylmethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidine-3-carboxamide is COc1ccc(CCC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cc1.
What is the InChIKey of (3R)-N-(cyclopropylmethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidine-3-carboxamide?
The InChIKey is LIIQFZQAOGHNJY-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-25-18-9-6-15(7-10-18)8-11-19(23)22-12-2-3-17(14-22)20(24)21-13-16-4-5-16/h6-7,9-10,16-17H,2-5,8,11-14H2,1H3,(H,21,24)/t17-/m1/s1.
What are the key properties of (3R)-N-(cyclopropylmethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidine-3-carboxamide?
(3R)-N-(cyclopropylmethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidine-3-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(cyclopropylmethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 94202656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).