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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Related Compounds

(4-Isopropyl-piperazin-1-yl)-(2-piperidin-1-ylmethyl-thiazol-4-yl)-methanone
CID 11573599
N-[3-[[(2S)-1-[(2S)-2-[[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-oxoprop-1-en-2-yl]-1,3-thiazole-4-carboxamide
CID 90676928
[8-[(2-Methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 97369937
2,9-Diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone
CID 128924626
7-(2-Cyclohexylethyl)-2-(1,3-thiazol-4-ylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45217500
N-methyl-4-[1-(1,3-thiazol-4-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-1(2H)-pyridinecarboxamide
CID 91921473
(5S)-7-(cyclohexylmethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26315216
N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide
CID 63022016
(3-Ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 71871966
2-Azabicyclo[2.2.1]heptan-2-yl-(2-methyl-1,3-thiazol-4-yl)methanone
CID 132283221
4-Cyclopropyl-1-(1,3-thiazole-4-carbonyl)piperidine
CID 137967224
4-[(3S)-3-methyl-4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]-N-propylbutanamide
CID 137996850

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).