N-(2-pyrrolidin-1-ylethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide

C23H35N3O5 — CID 46295149

IUPACN-(2-pyrrolidin-1-ylethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
SMILESCOc1cc(C(=O)N2CCC(CC(=O)NCCN3CCCC3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H35N3O5/c1-29-19-15-18(16-20(30-2)22(19)31-3)23(28)26-11-6-17(7-12-26)14-21(27)24-8-13-25-9-4-5-10-25/h15-17H,4-14H2,1-3H3,(H,24,27)
InChIKeyVCZPRXHUEMLCCN-UHFFFAOYSA-N
MW433.55 g/mol
LogP2.17
Rot. Bonds9

About N-(2-pyrrolidin-1-ylethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide

N-(2-pyrrolidin-1-ylethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide (PubChem CID 46295149) has the molecular formula C23H35N3O5 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
PubChem CID46295149
Molecular FormulaC23H35N3O5
Molecular Weight433.55 g/mol
Exact Mass433.26
IUPAC NameN-(2-pyrrolidin-1-ylethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
SMILESCOc1cc(C(=O)N2CCC(CC(=O)NCCN3CCCC3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H35N3O5/c1-29-19-15-18(16-20(30-2)22(19)31-3)23(28)26-11-6-17(7-12-26)14-21(27)24-8-13-25-9-4-5-10-25/h15-17H,4-14H2,1-3H3,(H,24,27)
InChIKeyVCZPRXHUEMLCCN-UHFFFAOYSA-N
XLogP2.17
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 92866879
N-(2-methoxyethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295127
2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 46295063
N-[(4-chlorophenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295103
N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295159
N-(pyridin-3-ylmethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295099
N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 113003294
4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 53057634
(4-bromopiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 80656388
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274
N-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide
CID 49402246
cyclopropyl-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797012

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide (CID 46295149) is N-(2-pyrrolidin-1-ylethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide is COc1cc(C(=O)N2CCC(CC(=O)NCCN3CCCC3)CC2)cc(OC)c1OC.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide?
The InChIKey is VCZPRXHUEMLCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O5/c1-29-19-15-18(16-20(30-2)22(19)31-3)23(28)26-11-6-17(7-12-26)14-21(27)24-8-13-25-9-4-5-10-25/h15-17H,4-14H2,1-3H3,(H,24,27).
What are the key properties of N-(2-pyrrolidin-1-ylethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide?
N-(2-pyrrolidin-1-ylethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide has a molecular weight of 433.55 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46295149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).