1-[4-[ethyl-[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide

C24H39N3O3 — CID 10341921

IUPAC1-[4-[ethyl-[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCCN(CCCC(=O)N1CCC(C(=O)N(C)C)CC1)[C@@H](C)Cc1ccc(OC)cc1
InChIInChI=1S/C24H39N3O3/c1-6-26(19(2)18-20-9-11-22(30-5)12-10-20)15-7-8-23(28)27-16-13-21(14-17-27)24(29)25(3)4/h9-12,19,21H,6-8,13-18H2,1-5H3/t19-/m0/s1
InChIKeyFUWZBLSXACKFQX-IBGZPJMESA-N
MW417.59 g/mol
LogP3.06
Rot. Bonds10

About 1-[4-[ethyl-[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide

1-[4-[ethyl-[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 10341921) has the molecular formula C24H39N3O3 and a molecular weight of 417.59 g/mol. Its IUPAC name is 1-[4-[ethyl-[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[ethyl-[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID10341921
Molecular FormulaC24H39N3O3
Molecular Weight417.59 g/mol
Exact Mass417.30
IUPAC Name1-[4-[ethyl-[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCCN(CCCC(=O)N1CCC(C(=O)N(C)C)CC1)[C@@H](C)Cc1ccc(OC)cc1
InChIInChI=1S/C24H39N3O3/c1-6-26(19(2)18-20-9-11-22(30-5)12-10-20)15-7-8-23(28)27-16-13-21(14-17-27)24(29)25(3)4/h9-12,19,21H,6-8,13-18H2,1-5H3/t19-/m0/s1
InChIKeyFUWZBLSXACKFQX-IBGZPJMESA-N
XLogP3.06
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl-[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-[ethyl-[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide (CID 10341921) is 1-[4-[ethyl-[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[ethyl-[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-[ethyl-[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide is CCN(CCCC(=O)N1CCC(C(=O)N(C)C)CC1)[C@@H](C)Cc1ccc(OC)cc1.
What is the InChIKey of 1-[4-[ethyl-[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is FUWZBLSXACKFQX-IBGZPJMESA-N. The full InChI is InChI=1S/C24H39N3O3/c1-6-26(19(2)18-20-9-11-22(30-5)12-10-20)15-7-8-23(28)27-16-13-21(14-17-27)24(29)25(3)4/h9-12,19,21H,6-8,13-18H2,1-5H3/t19-/m0/s1.
What are the key properties of 1-[4-[ethyl-[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[4-[ethyl-[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 417.59 g/mol, XLogP of 3.06, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethyl-[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 10341921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).