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

C24H31N3O2S — CID 9069109

IUPACN-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCCC1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C24H31N3O2S/c28-23(19-10-14-27(15-11-19)24(29)22-9-6-16-30-22)25-17-20-7-2-3-8-21(20)18-26-12-4-1-5-13-26/h2-3,6-9,16,19H,1,4-5,10-15,17-18H2,(H,25,28)
InChIKeyOOQUJZPCAUCWTH-UHFFFAOYSA-N
MW425.60 g/mol
LogP3.90
Rot. Bonds6

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

N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 9069109) has the molecular formula C24H31N3O2S and a molecular weight of 425.60 g/mol. Its IUPAC name is N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID9069109
Molecular FormulaC24H31N3O2S
Molecular Weight425.60 g/mol
Exact Mass425.21
IUPAC NameN-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCCC1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C24H31N3O2S/c28-23(19-10-14-27(15-11-19)24(29)22-9-6-16-30-22)25-17-20-7-2-3-8-21(20)18-26-12-4-1-5-13-26/h2-3,6-9,16,19H,1,4-5,10-15,17-18H2,(H,25,28)
InChIKeyOOQUJZPCAUCWTH-UHFFFAOYSA-N
XLogP3.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55714231
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9400507
(3S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39982688
1-(4-bromobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 24504712
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27333455
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46424833
N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27757040
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
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 94434549

Frequently Asked Questions

What is the IUPAC name of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 9069109) is N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(NCc1ccccc1CN1CCCCC1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is OOQUJZPCAUCWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S/c28-23(19-10-14-27(15-11-19)24(29)22-9-6-16-30-22)25-17-20-7-2-3-8-21(20)18-26-12-4-1-5-13-26/h2-3,6-9,16,19H,1,4-5,10-15,17-18H2,(H,25,28).
What are the key properties of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 425.60 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 9069109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).