N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

C19H31N3OS — CID 25452683

IUPACN-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)N[C@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C19H31N3OS/c1-15-18(24-14-20-15)10-11-19(23)21-16-7-6-12-22(13-16)17-8-4-2-3-5-9-17/h14,16-17H,2-13H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyLSKGHDRMXIEEEL-INIZCTEOSA-N
MW349.54 g/mol
LogP3.69
Rot. Bonds5

About N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 25452683) has the molecular formula C19H31N3OS and a molecular weight of 349.54 g/mol. Its IUPAC name is N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID25452683
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC NameN-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)N[C@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C19H31N3OS/c1-15-18(24-14-20-15)10-11-19(23)21-16-7-6-12-22(13-16)17-8-4-2-3-5-9-17/h14,16-17H,2-13H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyLSKGHDRMXIEEEL-INIZCTEOSA-N
XLogP3.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (CID 25452683) is N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is Cc1ncsc1CCC(=O)N[C@H]1CCCN(C2CCCCCC2)C1.
What is the InChIKey of N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is LSKGHDRMXIEEEL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-15-18(24-14-20-15)10-11-19(23)21-16-7-6-12-22(13-16)17-8-4-2-3-5-9-17/h14,16-17H,2-13H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 349.54 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 25452683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).