N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C23H29N3O3S — CID 55757398

IUPACN-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C23H29N3O3S/c1-29-20-8-6-19(7-9-20)26(17-21-5-4-16-30-21)22(27)18-10-14-25(15-11-18)23(28)24-12-2-3-13-24/h4-9,16,18H,2-3,10-15,17H2,1H3
InChIKeyCCQPJYRAUQPABV-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.22
Rot. Bonds5

About N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 55757398) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID55757398
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C23H29N3O3S/c1-29-20-8-6-19(7-9-20)26(17-21-5-4-16-30-21)22(27)18-10-14-25(15-11-18)23(28)24-12-2-3-13-24/h4-9,16,18H,2-3,10-15,17H2,1H3
InChIKeyCCQPJYRAUQPABV-UHFFFAOYSA-N
XLogP4.22
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxybenzoyl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55622862
(3S)-1-cyclopentyl-N-(4-methoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 9119491
[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 9347668
N-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55757691
cis-(1R,2S)-2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129467519
(2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
CID 124508136
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134012847
N-(4-methoxyphenyl)-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119688269
N-(4-methoxyphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8693164
5-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 86916933
2-(4-methoxy-N-(1-methoxycarbonylpiperidine-4-carbonyl)anilino)acetic acid
CID 20871784
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
CID 76858086

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 55757398) is N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is COc1ccc(N(Cc2cccs2)C(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is CCQPJYRAUQPABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-29-20-8-6-19(7-9-20)26(17-21-5-4-16-30-21)22(27)18-10-14-25(15-11-18)23(28)24-12-2-3-13-24/h4-9,16,18H,2-3,10-15,17H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 427.57 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55757398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).