1-(4-pyrrolidin-1-ylpyrimidin-5-yl)-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide

C21H29N5OS — CID 83273239

IUPAC1-(4-pyrrolidin-1-ylpyrimidin-5-yl)-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(c2cncnc2N2CCCC2)CC1)c1cccs1
InChIInChI=1S/C21H29N5OS/c1-2-17(19-6-5-13-28-19)24-21(27)16-7-11-25(12-8-16)18-14-22-15-23-20(18)26-9-3-4-10-26/h5-6,13-17H,2-4,7-12H2,1H3,(H,24,27)
InChIKeyJCRUZHUJNSOOCO-UHFFFAOYSA-N
MW399.56 g/mol
LogP3.62
Rot. Bonds6

About 1-(4-pyrrolidin-1-ylpyrimidin-5-yl)-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide

1-(4-pyrrolidin-1-ylpyrimidin-5-yl)-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide (PubChem CID 83273239) has the molecular formula C21H29N5OS and a molecular weight of 399.56 g/mol. Its IUPAC name is 1-(4-pyrrolidin-1-ylpyrimidin-5-yl)-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-pyrrolidin-1-ylpyrimidin-5-yl)-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide
PubChem CID83273239
Molecular FormulaC21H29N5OS
Molecular Weight399.56 g/mol
Exact Mass399.21
IUPAC Name1-(4-pyrrolidin-1-ylpyrimidin-5-yl)-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(c2cncnc2N2CCCC2)CC1)c1cccs1
InChIInChI=1S/C21H29N5OS/c1-2-17(19-6-5-13-28-19)24-21(27)16-7-11-25(12-8-16)18-14-22-15-23-20(18)26-9-3-4-10-26/h5-6,13-17H,2-4,7-12H2,1H3,(H,24,27)
InChIKeyJCRUZHUJNSOOCO-UHFFFAOYSA-N
XLogP3.62
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165875
N-cycloheptyl-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165628
N-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165881
N-(3-methoxypropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165697
N-benzyl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165874
N-(furan-2-ylmethyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165720
(3S)-3-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 124705094
N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 95100787
1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 53166201
(3R)-1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide
CID 95101094
1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-4-carboxamide
CID 95114164
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 95100802

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrrolidin-1-ylpyrimidin-5-yl)-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-pyrrolidin-1-ylpyrimidin-5-yl)-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide (CID 83273239) is 1-(4-pyrrolidin-1-ylpyrimidin-5-yl)-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-pyrrolidin-1-ylpyrimidin-5-yl)-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-pyrrolidin-1-ylpyrimidin-5-yl)-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide is CCC(NC(=O)C1CCN(c2cncnc2N2CCCC2)CC1)c1cccs1.
What is the InChIKey of 1-(4-pyrrolidin-1-ylpyrimidin-5-yl)-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The InChIKey is JCRUZHUJNSOOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5OS/c1-2-17(19-6-5-13-28-19)24-21(27)16-7-11-25(12-8-16)18-14-22-15-23-20(18)26-9-3-4-10-26/h5-6,13-17H,2-4,7-12H2,1H3,(H,24,27).
What are the key properties of 1-(4-pyrrolidin-1-ylpyrimidin-5-yl)-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
1-(4-pyrrolidin-1-ylpyrimidin-5-yl)-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide has a molecular weight of 399.56 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrolidin-1-ylpyrimidin-5-yl)-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 83273239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).