2-cyclopentyl-N-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide

C19H31N3OS — CID 75376784

IUPAC2-cyclopentyl-N-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
SMILESCc1ncc(CN2CCC(NC(=O)C(C)C3CCCC3)C(C)C2)s1
InChIInChI=1S/C19H31N3OS/c1-13-11-22(12-17-10-20-15(3)24-17)9-8-18(13)21-19(23)14(2)16-6-4-5-7-16/h10,13-14,16,18H,4-9,11-12H2,1-3H3,(H,21,23)
InChIKeyMRTTXROIICQFIL-UHFFFAOYSA-N
MW349.54 g/mol
LogP3.60
Rot. Bonds5

About 2-cyclopentyl-N-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide

2-cyclopentyl-N-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide (PubChem CID 75376784) has the molecular formula C19H31N3OS and a molecular weight of 349.54 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
PubChem CID75376784
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC Name2-cyclopentyl-N-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
SMILESCc1ncc(CN2CCC(NC(=O)C(C)C3CCCC3)C(C)C2)s1
InChIInChI=1S/C19H31N3OS/c1-13-11-22(12-17-10-20-15(3)24-17)9-8-18(13)21-19(23)14(2)16-6-4-5-7-16/h10,13-14,16,18H,4-9,11-12H2,1-3H3,(H,21,23)
InChIKeyMRTTXROIICQFIL-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-cyclopentyl-N-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide (CID 75376784) is 2-cyclopentyl-N-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-cyclopentyl-N-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-cyclopentyl-N-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide is Cc1ncc(CN2CCC(NC(=O)C(C)C3CCCC3)C(C)C2)s1.
What is the InChIKey of 2-cyclopentyl-N-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide?
The InChIKey is MRTTXROIICQFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-13-11-22(12-17-10-20-15(3)24-17)9-8-18(13)21-19(23)14(2)16-6-4-5-7-16/h10,13-14,16,18H,4-9,11-12H2,1-3H3,(H,21,23).
What are the key properties of 2-cyclopentyl-N-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide?
2-cyclopentyl-N-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide has a molecular weight of 349.54 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 75376784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).