(2R)-2-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide

C16H29N5O — CID 97258233

IUPAC(2R)-2-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCC(C)n1nccc1NC(=O)N1CCCC[C@@H]1CCN(C)C
InChIInChI=1S/C16H29N5O/c1-13(2)21-15(8-10-17-21)18-16(22)20-11-6-5-7-14(20)9-12-19(3)4/h8,10,13-14H,5-7,9,11-12H2,1-4H3,(H,18,22)/t14-/m1/s1
InChIKeyWRCMWKRZRLHWAU-CQSZACIVSA-N
MW307.44 g/mol
LogP2.80
Rot. Bonds5

About (2R)-2-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide

(2R)-2-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 97258233) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is (2R)-2-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
PubChem CID97258233
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name(2R)-2-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCC(C)n1nccc1NC(=O)N1CCCC[C@@H]1CCN(C)C
InChIInChI=1S/C16H29N5O/c1-13(2)21-15(8-10-17-21)18-16(22)20-11-6-5-7-14(20)9-12-19(3)4/h8,10,13-14H,5-7,9,11-12H2,1-4H3,(H,18,22)/t14-/m1/s1
InChIKeyWRCMWKRZRLHWAU-CQSZACIVSA-N
XLogP2.80
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-2-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide (CID 97258233) is (2R)-2-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide is CC(C)n1nccc1NC(=O)N1CCCC[C@@H]1CCN(C)C.
What is the InChIKey of (2R)-2-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is WRCMWKRZRLHWAU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H29N5O/c1-13(2)21-15(8-10-17-21)18-16(22)20-11-6-5-7-14(20)9-12-19(3)4/h8,10,13-14H,5-7,9,11-12H2,1-4H3,(H,18,22)/t14-/m1/s1.
What are the key properties of (2R)-2-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide?
(2R)-2-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97258233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).