(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide

C16H27N5O2 — CID 126451762

IUPAC(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
SMILESO=C(NCCn1cccn1)N1CCN(CC2CC2)[C@@H](CCO)C1
InChIInChI=1S/C16H27N5O2/c22-11-4-15-13-20(10-9-19(15)12-14-2-3-14)16(23)17-6-8-21-7-1-5-18-21/h1,5,7,14-15,22H,2-4,6,8-13H2,(H,17,23)/t15-/m0/s1
InChIKeyUIIPJBZVOHVCMW-HNNXBMFYSA-N
MW321.43 g/mol
LogP0.37
Rot. Bonds7

About (3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide

(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide (PubChem CID 126451762) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is (3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
PubChem CID126451762
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
SMILESO=C(NCCn1cccn1)N1CCN(CC2CC2)[C@@H](CCO)C1
InChIInChI=1S/C16H27N5O2/c22-11-4-15-13-20(10-9-19(15)12-14-2-3-14)16(23)17-6-8-21-7-1-5-18-21/h1,5,7,14-15,22H,2-4,6,8-13H2,(H,17,23)/t15-/m0/s1
InChIKeyUIIPJBZVOHVCMW-HNNXBMFYSA-N
XLogP0.37
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61461167
4-(cyclopropylmethyl)-N-[2-(3,4-dimethylphenoxy)ethyl]-3-(2-hydroxyethyl)piperazine-1-carboxamide
CID 121495181
(3S)-4-ethyl-3-(1H-imidazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 129328331
3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 110895928
(3S)-4-(cyclopropylmethyl)-N-[(5-fluoro-2-methylphenyl)methyl]-3-(2-hydroxyethyl)piperazine-1-carboxamide
CID 126432194
1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 91783232
4-(oxolan-3-ylmethyl)-N-(3-pyrazol-1-ylpropyl)piperazine-1-carboxamide
CID 136512774
(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide
CID 129331074
4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 127324357
2-[2-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]anilino]acetic acid
CID 50977591
(5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 126453764
(3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 95153240

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
The IUPAC name of (3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide (CID 126451762) is (3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for (3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for (3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide is O=C(NCCn1cccn1)N1CCN(CC2CC2)[C@@H](CCO)C1.
What is the InChIKey of (3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
The InChIKey is UIIPJBZVOHVCMW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N5O2/c22-11-4-15-13-20(10-9-19(15)12-14-2-3-14)16(23)17-6-8-21-7-1-5-18-21/h1,5,7,14-15,22H,2-4,6,8-13H2,(H,17,23)/t15-/m0/s1.
What are the key properties of (3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 126451762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).