N-(cyclopropylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide

C16H26N4O2 — CID 51104577

IUPACN-(cyclopropylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2ccnn2CCO)CC1)NCC1CC1
InChIInChI=1S/C16H26N4O2/c21-10-9-20-15(3-6-18-20)14-4-7-19(8-5-14)12-16(22)17-11-13-1-2-13/h3,6,13-14,21H,1-2,4-5,7-12H2,(H,17,22)
InChIKeyITEUGEVPQLHDIM-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.58
Rot. Bonds7

About N-(cyclopropylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide

N-(cyclopropylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide (PubChem CID 51104577) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide
PubChem CID51104577
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-(cyclopropylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2ccnn2CCO)CC1)NCC1CC1
InChIInChI=1S/C16H26N4O2/c21-10-9-20-15(3-6-18-20)14-4-7-19(8-5-14)12-16(22)17-11-13-1-2-13/h3,6,13-14,21H,1-2,4-5,7-12H2,(H,17,22)
InChIKeyITEUGEVPQLHDIM-UHFFFAOYSA-N
XLogP0.58
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 51104288
N-(1-cyano-1,2-dimethylpropyl)-2-{4-[1-(2-hydroxyethyl)-1H-pyrazol-5-yl]piperidin-1-yl}acetamide
CID 51104585
N-(1-cyanocyclopentyl)-2-{4-[1-(2-hydroxyethyl)-1H-pyrazol-5-yl]piperidin-1-yl}acetamide
CID 51104587
N-(cyclohexylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide
CID 51104602
N-cyclopentyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide
CID 51104603
2-(5-(piperidin-4-yl)-1H-pyrazol-1-yl)ethan-1-ol
CID 50990677
N~3~-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-1,3-piperidinedicarboxamide
CID 72892414
(3R*,5S*)-N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-5-(pyrrolidin-1-ylcarbonyl)piperidine-3-carboxamide
CID 72913930
N-cyclopropyl-2-(3-propan-2-ylpyrazol-1-yl)acetamide
CID 71846689
1-Morpholin-4-yl-2-(3-propan-2-ylpyrazol-1-yl)ethanone
CID 97243102
N-(tert-butyl)-2-(4-(1-methyl-1H-pyrazol-3-yl)piperidin-1-yl)acetamide
CID 122161919
N-benzyl-N-cyclopropyl-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide
CID 126782239

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide (CID 51104577) is N-(cyclopropylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide is O=C(CN1CCC(c2ccnn2CCO)CC1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
The InChIKey is ITEUGEVPQLHDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c21-10-9-20-15(3-6-18-20)14-4-7-19(8-5-14)12-16(22)17-11-13-1-2-13/h3,6,13-14,21H,1-2,4-5,7-12H2,(H,17,22).
What are the key properties of N-(cyclopropylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
N-(cyclopropylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 51104577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).