2-methyl-N-(3-pyrrolidin-1-ylpropyl)-N-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide

C20H32N4O2S — CID 164635642

IUPAC2-methyl-N-(3-pyrrolidin-1-ylpropyl)-N-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide
SMILESCC(C)C(=O)N(CCCN1CCCC1)[C@H]1CCCN(C(=O)c2cscn2)C1
InChIInChI=1S/C20H32N4O2S/c1-16(2)19(25)24(12-6-10-22-8-3-4-9-22)17-7-5-11-23(13-17)20(26)18-14-27-15-21-18/h14-17H,3-13H2,1-2H3/t17-/m0/s1
InChIKeyCGXWGDPSRXHTNF-KRWDZBQOSA-N
MW392.57 g/mol
LogP2.72
Rot. Bonds7

About 2-methyl-N-(3-pyrrolidin-1-ylpropyl)-N-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide

2-methyl-N-(3-pyrrolidin-1-ylpropyl)-N-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide (PubChem CID 164635642) has the molecular formula C20H32N4O2S and a molecular weight of 392.57 g/mol. Its IUPAC name is 2-methyl-N-(3-pyrrolidin-1-ylpropyl)-N-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-pyrrolidin-1-ylpropyl)-N-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide
PubChem CID164635642
Molecular FormulaC20H32N4O2S
Molecular Weight392.57 g/mol
Exact Mass392.22
IUPAC Name2-methyl-N-(3-pyrrolidin-1-ylpropyl)-N-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide
SMILESCC(C)C(=O)N(CCCN1CCCC1)[C@H]1CCCN(C(=O)c2cscn2)C1
InChIInChI=1S/C20H32N4O2S/c1-16(2)19(25)24(12-6-10-22-8-3-4-9-22)17-7-5-11-23(13-17)20(26)18-14-27-15-21-18/h14-17H,3-13H2,1-2H3/t17-/m0/s1
InChIKeyCGXWGDPSRXHTNF-KRWDZBQOSA-N
XLogP2.72
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-pyrrolidin-1-ylpropyl)-N-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-(3-pyrrolidin-1-ylpropyl)-N-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide (CID 164635642) is 2-methyl-N-(3-pyrrolidin-1-ylpropyl)-N-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-(3-pyrrolidin-1-ylpropyl)-N-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-(3-pyrrolidin-1-ylpropyl)-N-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide is CC(C)C(=O)N(CCCN1CCCC1)[C@H]1CCCN(C(=O)c2cscn2)C1.
What is the InChIKey of 2-methyl-N-(3-pyrrolidin-1-ylpropyl)-N-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide?
The InChIKey is CGXWGDPSRXHTNF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H32N4O2S/c1-16(2)19(25)24(12-6-10-22-8-3-4-9-22)17-7-5-11-23(13-17)20(26)18-14-27-15-21-18/h14-17H,3-13H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-methyl-N-(3-pyrrolidin-1-ylpropyl)-N-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide?
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-N-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 392.57 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-pyrrolidin-1-ylpropyl)-N-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 164635642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).