1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one

C16H27N3O2S — CID 119622415

IUPAC1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1CSCC1C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H27N3O2S/c1-2-15(20)19-11-22-10-14(19)16(21)18-7-5-13(6-8-18)17-9-12-3-4-12/h12-14,17H,2-11H2,1H3
InChIKeyADCKTUOZYDPIQK-UHFFFAOYSA-N
MW325.48 g/mol
LogP1.29
Rot. Bonds5

About 1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one

1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 119622415) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID119622415
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1CSCC1C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H27N3O2S/c1-2-15(20)19-11-22-10-14(19)16(21)18-7-5-13(6-8-18)17-9-12-3-4-12/h12-14,17H,2-11H2,1H3
InChIKeyADCKTUOZYDPIQK-UHFFFAOYSA-N
XLogP1.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride
CID 119539246
1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride
CID 119647278
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911
1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid
CID 119166620
cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42745619
(4-butylcyclohexyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624610
1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 42744753
1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one
CID 120809895
1-[4-(ethylamino)piperidin-1-yl]propan-1-one
CID 60818400
2-cyclopentyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 81424496
cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483591
4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide
CID 119625023

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one (CID 119622415) is 1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one is CCC(=O)N1CSCC1C(=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is ADCKTUOZYDPIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-2-15(20)19-11-22-10-14(19)16(21)18-7-5-13(6-8-18)17-9-12-3-4-12/h12-14,17H,2-11H2,1H3.
What are the key properties of 1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one?
1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 325.48 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 119622415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).