(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide

C21H26N4O2S — CID 165425692

IUPAC(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide
SMILESCc1nc(C2(c3ccccc3)CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)cs1
InChIInChI=1S/C21H26N4O2S/c1-15-23-18(14-28-15)21(16-6-3-2-4-7-16)9-12-24(13-10-21)19(26)17-8-5-11-25(17)20(22)27/h2-4,6-7,14,17H,5,8-13H2,1H3,(H2,22,27)/t17-/m0/s1
InChIKeyAQHAOZMKYFWHIB-KRWDZBQOSA-N
MW398.53 g/mol
LogP2.90
Rot. Bonds3

About (2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide

(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide (PubChem CID 165425692) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is (2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide
PubChem CID165425692
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide
SMILESCc1nc(C2(c3ccccc3)CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)cs1
InChIInChI=1S/C21H26N4O2S/c1-15-23-18(14-28-15)21(16-6-3-2-4-7-16)9-12-24(13-10-21)19(26)17-8-5-11-25(17)20(22)27/h2-4,6-7,14,17H,5,8-13H2,1H3,(H2,22,27)/t17-/m0/s1
InChIKeyAQHAOZMKYFWHIB-KRWDZBQOSA-N
XLogP2.90
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone
CID 165424336
methyl 2-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidine-1-carboxylate
CID 165421768
(4S)-4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 165421830
[(1S,3S,4S)-4-amino-3-hydroxycyclohexyl]-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone;hydrochloride
CID 166600011
4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide
CID 165420028
[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 164691667
2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 165418820
4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile
CID 165421639
1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one
CID 165422259
1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 165419363
[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone
CID 165419233
1-[2-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 165420293

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide (CID 165425692) is (2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide is Cc1nc(C2(c3ccccc3)CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)cs1.
What is the InChIKey of (2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide?
The InChIKey is AQHAOZMKYFWHIB-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-15-23-18(14-28-15)21(16-6-3-2-4-7-16)9-12-24(13-10-21)19(26)17-8-5-11-25(17)20(22)27/h2-4,6-7,14,17H,5,8-13H2,1H3,(H2,22,27)/t17-/m0/s1.
What are the key properties of (2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide?
(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 165425692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).