N-[(2R)-1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide

C18H24N4O — CID 118514529

IUPACN-[(2R)-1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
SMILESC[C@H](Cn1ccc(-c2ccccc2)n1)NC(=O)N1CCCCC1
InChIInChI=1S/C18H24N4O/c1-15(19-18(23)21-11-6-3-7-12-21)14-22-13-10-17(20-22)16-8-4-2-5-9-16/h2,4-5,8-10,13,15H,3,6-7,11-12,14H2,1H3,(H,19,23)/t15-/m1/s1
InChIKeyNITAQKTUVPHLON-OAHLLOKOSA-N
MW312.42 g/mol
LogP3.13
Rot. Bonds4

About N-[(2R)-1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide

N-[(2R)-1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 118514529) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[(2R)-1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
PubChem CID118514529
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[(2R)-1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
SMILESC[C@H](Cn1ccc(-c2ccccc2)n1)NC(=O)N1CCCCC1
InChIInChI=1S/C18H24N4O/c1-15(19-18(23)21-11-6-3-7-12-21)14-22-13-10-17(20-22)16-8-4-2-5-9-16/h2,4-5,8-10,13,15H,3,6-7,11-12,14H2,1H3,(H,19,23)/t15-/m1/s1
InChIKeyNITAQKTUVPHLON-OAHLLOKOSA-N
XLogP3.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(2R)-1-pyrazol-1-ylpropan-2-yl]azetidine-1-carboxamide
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[(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium
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N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
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N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(2R)-1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide (CID 118514529) is N-[(2R)-1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(2R)-1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide is C[C@H](Cn1ccc(-c2ccccc2)n1)NC(=O)N1CCCCC1.
What is the InChIKey of N-[(2R)-1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is NITAQKTUVPHLON-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O/c1-15(19-18(23)21-11-6-3-7-12-21)14-22-13-10-17(20-22)16-8-4-2-5-9-16/h2,4-5,8-10,13,15H,3,6-7,11-12,14H2,1H3,(H,19,23)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide?
N-[(2R)-1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 118514529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).