N-(cyclopropylmethyl)-1-[4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide

C25H29N3O3S — CID 127038782

IUPACN-(cyclopropylmethyl)-1-[4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cn2c(C(=O)N3CCC(C(=O)NCC4CC4)CC3)cc3sccc32)cc1
InChIInChI=1S/C25H29N3O3S/c1-31-20-6-4-18(5-7-20)16-28-21-10-13-32-23(21)14-22(28)25(30)27-11-8-19(9-12-27)24(29)26-15-17-2-3-17/h4-7,10,13-14,17,19H,2-3,8-9,11-12,15-16H2,1H3,(H,26,29)
InChIKeyOBABAQTWNLYVFM-UHFFFAOYSA-N
MW451.59 g/mol
LogP4.14
Rot. Bonds7

About N-(cyclopropylmethyl)-1-[4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide

N-(cyclopropylmethyl)-1-[4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide (PubChem CID 127038782) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
PubChem CID127038782
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC NameN-(cyclopropylmethyl)-1-[4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cn2c(C(=O)N3CCC(C(=O)NCC4CC4)CC3)cc3sccc32)cc1
InChIInChI=1S/C25H29N3O3S/c1-31-20-6-4-18(5-7-20)16-28-21-10-13-32-23(21)14-22(28)25(30)27-11-8-19(9-12-27)24(29)26-15-17-2-3-17/h4-7,10,13-14,17,19H,2-3,8-9,11-12,15-16H2,1H3,(H,26,29)
InChIKeyOBABAQTWNLYVFM-UHFFFAOYSA-N
XLogP4.14
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 46038954
N-(2,2-dimethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 82017354
N-(3-chloro-2-methylphenyl)-1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 20886047
4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039256
N-(2,2-diethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 82017353
N,N-diethyl-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 127040045
1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 20883520
(4-benzylpiperidin-1-yl)-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methanone
CID 1427980
ethyl 1-[4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 46038973
1-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 50831083
4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 1455010
ethyl 1-[4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-3-carboxylate
CID 46038957

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide (CID 127038782) is N-(cyclopropylmethyl)-1-[4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide is COc1ccc(Cn2c(C(=O)N3CCC(C(=O)NCC4CC4)CC3)cc3sccc32)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide?
The InChIKey is OBABAQTWNLYVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-31-20-6-4-18(5-7-20)16-28-21-10-13-32-23(21)14-22(28)25(30)27-11-8-19(9-12-27)24(29)26-15-17-2-3-17/h4-7,10,13-14,17,19H,2-3,8-9,11-12,15-16H2,1H3,(H,26,29).
What are the key properties of N-(cyclopropylmethyl)-1-[4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide?
N-(cyclopropylmethyl)-1-[4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide has a molecular weight of 451.59 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 127038782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).