N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C23H29N3O2S — CID 9400507

IUPACN-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(CN2CCCC2)cc1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C23H29N3O2S/c27-22(20-9-13-26(14-10-20)23(28)21-4-3-15-29-21)24-16-18-5-7-19(8-6-18)17-25-11-1-2-12-25/h3-8,15,20H,1-2,9-14,16-17H2,(H,24,27)
InChIKeyBHXGBCUPNZHNAP-UHFFFAOYSA-N
MW411.57 g/mol
LogP3.51
Rot. Bonds6

About N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 9400507) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID9400507
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC NameN-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(CN2CCCC2)cc1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C23H29N3O2S/c27-22(20-9-13-26(14-10-20)23(28)21-4-3-15-29-21)24-16-18-5-7-19(8-6-18)17-25-11-1-2-12-25/h3-8,15,20H,1-2,9-14,16-17H2,(H,24,27)
InChIKeyBHXGBCUPNZHNAP-UHFFFAOYSA-N
XLogP3.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9069109
N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46424833
N-[(4-chlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46556728
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55714231
1-(cyclopropanecarbonyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 31642647
N-[(6-methoxy-3-pyridinyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51306117
N-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide
CID 24674548
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511042
1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 26447107
N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27647213
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55560269

Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 9400507) is N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(NCc1ccc(CN2CCCC2)cc1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is BHXGBCUPNZHNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c27-22(20-9-13-26(14-10-20)23(28)21-4-3-15-29-21)24-16-18-5-7-19(8-6-18)17-25-11-1-2-12-25/h3-8,15,20H,1-2,9-14,16-17H2,(H,24,27).
What are the key properties of N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 411.57 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 9400507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).