[1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C20H32N4OS — CID 24791994

IUPAC[1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ncc(CN2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)s1
InChIInChI=1S/C20H32N4OS/c1-16-21-14-19(26-16)15-22-10-6-18(7-11-22)23-12-4-17(5-13-23)20(25)24-8-2-3-9-24/h14,17-18H,2-13,15H2,1H3
InChIKeyFUDVPPWZWWJGII-UHFFFAOYSA-N
MW376.57 g/mol
LogP2.75
Rot. Bonds4

About [1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 24791994) has the molecular formula C20H32N4OS and a molecular weight of 376.57 g/mol. Its IUPAC name is [1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID24791994
Molecular FormulaC20H32N4OS
Molecular Weight376.57 g/mol
Exact Mass376.23
IUPAC Name[1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ncc(CN2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)s1
InChIInChI=1S/C20H32N4OS/c1-16-21-14-19(26-16)15-22-10-6-18(7-11-22)23-12-4-17(5-13-23)20(25)24-8-2-3-9-24/h14,17-18H,2-13,15H2,1H3
InChIKeyFUDVPPWZWWJGII-UHFFFAOYSA-N
XLogP2.75
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(2-Cyclobutyl-1,3-thiazol-5-yl)methylamino]pentan-3-yl]pyrrolidin-2-one
CID 75380792
1-[3-[(2-Cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one
CID 75380800
N-isopropyl-1'-{[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methyl}-1,4'-bipiperidine-4-carboxamide
CID 25386247
1-{1-[(2-Cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl}-4-(fluoromethyl)pyrrolidin-2-one
CID 126899844
4-(Fluoromethyl)-1-{1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl}pyrrolidin-2-one
CID 126899845
4,4-Difluoro-1-{1-[(1,3-thiazol-5-yl)methyl]pyrrolidine-3-carbonyl}piperidine
CID 165432002
[1-[1-[[2-(Dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 28139473
N,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-1-ylbutanamide
CID 53620835
1-isopropyl-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72898687
1-Butyl-3-(2-methylpropyl)-9-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 21927344
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 177751432
[1-(2-Tert-butyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 47720972

Frequently Asked Questions

What is the IUPAC name of [1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 24791994) is [1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is Cc1ncc(CN2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)s1.
What is the InChIKey of [1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FUDVPPWZWWJGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4OS/c1-16-21-14-19(26-16)15-22-10-6-18(7-11-22)23-12-4-17(5-13-23)20(25)24-8-2-3-9-24/h14,17-18H,2-13,15H2,1H3.
What are the key properties of [1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 376.57 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24791994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).