N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]-4-thiophen-3-ylbenzamide

C22H23N3OS — CID 91624832

IUPACN-[(1-pyridin-3-ylpiperidin-4-yl)methyl]-4-thiophen-3-ylbenzamide
SMILESO=C(NCC1CCN(c2cccnc2)CC1)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C22H23N3OS/c26-22(19-5-3-18(4-6-19)20-9-13-27-16-20)24-14-17-7-11-25(12-8-17)21-2-1-10-23-15-21/h1-6,9-10,13,15-17H,7-8,11-12,14H2,(H,24,26)
InChIKeyBOFJBMOQUCJFDX-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.46
Rot. Bonds5

About N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]-4-thiophen-3-ylbenzamide

N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]-4-thiophen-3-ylbenzamide (PubChem CID 91624832) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]-4-thiophen-3-ylbenzamide.

Molecular Properties

Compound NameN-[(1-pyridin-3-ylpiperidin-4-yl)methyl]-4-thiophen-3-ylbenzamide
PubChem CID91624832
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC NameN-[(1-pyridin-3-ylpiperidin-4-yl)methyl]-4-thiophen-3-ylbenzamide
SMILESO=C(NCC1CCN(c2cccnc2)CC1)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C22H23N3OS/c26-22(19-5-3-18(4-6-19)20-9-13-27-16-20)24-14-17-7-11-25(12-8-17)21-2-1-10-23-15-21/h1-6,9-10,13,15-17H,7-8,11-12,14H2,(H,24,26)
InChIKeyBOFJBMOQUCJFDX-UHFFFAOYSA-N
XLogP4.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
CID 91624801
1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 100678446
2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
CID 91624812
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110414295
(1S)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 100712572
1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624876
1-(2-phenoxyethyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624883
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 125444699
4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 99877599
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 35220191
N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924745

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]-4-thiophen-3-ylbenzamide?
The IUPAC name of N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]-4-thiophen-3-ylbenzamide (CID 91624832) is N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]-4-thiophen-3-ylbenzamide.
What is the SMILES notation for N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]-4-thiophen-3-ylbenzamide?
The canonical SMILES for N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]-4-thiophen-3-ylbenzamide is O=C(NCC1CCN(c2cccnc2)CC1)c1ccc(-c2ccsc2)cc1.
What is the InChIKey of N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]-4-thiophen-3-ylbenzamide?
The InChIKey is BOFJBMOQUCJFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c26-22(19-5-3-18(4-6-19)20-9-13-27-16-20)24-14-17-7-11-25(12-8-17)21-2-1-10-23-15-21/h1-6,9-10,13,15-17H,7-8,11-12,14H2,(H,24,26).
What are the key properties of N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]-4-thiophen-3-ylbenzamide?
N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]-4-thiophen-3-ylbenzamide has a molecular weight of 377.51 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]-4-thiophen-3-ylbenzamide is sourced from PubChem (CID 91624832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).