N-[(3R)-1-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]acetamide

C13H22N4O2 — CID 94174599

IUPACN-[(3R)-1-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(C[C@H](O)Cn2cccn2)C1
InChIInChI=1S/C13H22N4O2/c1-11(18)15-12-4-2-6-16(8-12)9-13(19)10-17-7-3-5-14-17/h3,5,7,12-13,19H,2,4,6,8-10H2,1H3,(H,15,18)/t12-,13+/m1/s1
InChIKeyZNMSRXXBJYVDOK-OLZOCXBDSA-N
MW266.34 g/mol
LogP-0.16
Rot. Bonds5

About N-[(3R)-1-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]acetamide

N-[(3R)-1-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]acetamide (PubChem CID 94174599) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(3R)-1-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]acetamide
PubChem CID94174599
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[(3R)-1-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(C[C@H](O)Cn2cccn2)C1
InChIInChI=1S/C13H22N4O2/c1-11(18)15-12-4-2-6-16(8-12)9-13(19)10-17-7-3-5-14-17/h3,5,7,12-13,19H,2,4,6,8-10H2,1H3,(H,15,18)/t12-,13+/m1/s1
InChIKeyZNMSRXXBJYVDOK-OLZOCXBDSA-N
XLogP-0.16
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidine-3-carboxylate
CID 99819039
[(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea
CID 94176749
(3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 95153240
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
CID 47053109
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 71926965
N-[1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-yl]acetamide
CID 103160184
N-cyclopentyl-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 54951287
1-[4-[(3S,4S)-1-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 98772789
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-cycloheptyl-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 62573457
N-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide
CID 110898038
N-[1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]piperidin-3-yl]acetamide
CID 139013773

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]acetamide (CID 94174599) is N-[(3R)-1-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CCCN(C[C@H](O)Cn2cccn2)C1.
What is the InChIKey of N-[(3R)-1-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]acetamide?
The InChIKey is ZNMSRXXBJYVDOK-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-11(18)15-12-4-2-6-16(8-12)9-13(19)10-17-7-3-5-14-17/h3,5,7,12-13,19H,2,4,6,8-10H2,1H3,(H,15,18)/t12-,13+/m1/s1.
What are the key properties of N-[(3R)-1-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]acetamide?
N-[(3R)-1-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]acetamide has a molecular weight of 266.34 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 94174599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).