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

C20H32N4OS — CID 95463607

IUPAC[(3S)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(CN2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cs1
InChIInChI=1S/C20H32N4OS/c1-16-21-18(15-26-16)14-22-11-6-19(7-12-22)24-10-4-5-17(13-24)20(25)23-8-2-3-9-23/h15,17,19H,2-14H2,1H3/t17-/m0/s1
InChIKeyAFMWDYDVDSUBBE-KRWDZBQOSA-N
MW376.57 g/mol
LogP2.75
Rot. Bonds4

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

[(3S)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 95463607) has the molecular formula C20H32N4OS and a molecular weight of 376.57 g/mol. Its IUPAC name is [(3S)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID95463607
Molecular FormulaC20H32N4OS
Molecular Weight376.57 g/mol
Exact Mass376.23
IUPAC Name[(3S)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(CN2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cs1
InChIInChI=1S/C20H32N4OS/c1-16-21-18(15-26-16)14-22-11-6-19(7-12-22)24-10-4-5-17(13-24)20(25)23-8-2-3-9-23/h15,17,19H,2-14H2,1H3/t17-/m0/s1
InChIKeyAFMWDYDVDSUBBE-KRWDZBQOSA-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

cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 110714326
pyrrolidin-1-yl-[(3S)-1-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95558373
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 95555582
[3-(methylamino)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 119489323
[(3R)-1-[1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95557907
(3S)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96577078
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-piperidin-4-ylmethanone
CID 60963485
7-bicyclo[4.1.0]heptanyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 46972591
[(3S)-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95455770
1-(1-methylpiperidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 56877502
N-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide
CID 56514845
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3S)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 95463607) is [(3S)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3S)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3S)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is Cc1nc(CN2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cs1.
What is the InChIKey of [(3S)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AFMWDYDVDSUBBE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H32N4OS/c1-16-21-18(15-26-16)14-22-11-6-19(7-12-22)24-10-4-5-17(13-24)20(25)23-8-2-3-9-23/h15,17,19H,2-14H2,1H3/t17-/m0/s1.
What are the key properties of [(3S)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3S)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]piperidin-3-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 [(3S)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 95463607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).