(3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide

C20H27N3OS — CID 30185192

IUPAC(3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
SMILESCC1CCN(Cc2csc(NC(=O)C[C@@H](C)c3ccccc3)n2)CC1
InChIInChI=1S/C20H27N3OS/c1-15-8-10-23(11-9-15)13-18-14-25-20(21-18)22-19(24)12-16(2)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3,(H,21,22,24)/t16-/m1/s1
InChIKeyFUWBVOLAFBTRTN-MRXNPFEDSA-N
MW357.52 g/mol
LogP4.51
Rot. Bonds6

About (3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide

(3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide (PubChem CID 30185192) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is (3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
PubChem CID30185192
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name(3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
SMILESCC1CCN(Cc2csc(NC(=O)C[C@@H](C)c3ccccc3)n2)CC1
InChIInChI=1S/C20H27N3OS/c1-15-8-10-23(11-9-15)13-18-14-25-20(21-18)22-19(24)12-16(2)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3,(H,21,22,24)/t16-/m1/s1
InChIKeyFUWBVOLAFBTRTN-MRXNPFEDSA-N
XLogP4.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
CID 43004964
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 30186300
methyl 2-[2-[[(3S)-3-phenylbutanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 38987354
N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 26130484
2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenylpyridine-3-carboxamide
CID 55451656
N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 26130496
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
CID 30185272
1-benzoyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 112813953
2-(2-cyanophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 30186109
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 33211035
2-ethoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18143742
N'-(2-cyanoethyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N'-phenylbutanediamide
CID 56505414

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide?
The IUPAC name of (3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide (CID 30185192) is (3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide.
What is the SMILES notation for (3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide?
The canonical SMILES for (3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide is CC1CCN(Cc2csc(NC(=O)C[C@@H](C)c3ccccc3)n2)CC1.
What is the InChIKey of (3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide?
The InChIKey is FUWBVOLAFBTRTN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-15-8-10-23(11-9-15)13-18-14-25-20(21-18)22-19(24)12-16(2)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3,(H,21,22,24)/t16-/m1/s1.
What are the key properties of (3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide?
(3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide has a molecular weight of 357.52 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide is sourced from PubChem (CID 30185192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).