N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4-pyrazol-1-ylpiperidine-4-carboxamide

C21H29N5O2 — CID 120931181

IUPACN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C21H29N5O2/c1-4-25(16-17-6-8-18(9-7-17)19(27)24(2)3)20(28)21(10-13-22-14-11-21)26-15-5-12-23-26/h5-9,12,15,22H,4,10-11,13-14,16H2,1-3H3
InChIKeyMFZDEJWPWALLAX-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.71
Rot. Bonds6

About N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120931181) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120931181
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C21H29N5O2/c1-4-25(16-17-6-8-18(9-7-17)19(27)24(2)3)20(28)21(10-13-22-14-11-21)26-15-5-12-23-26/h5-9,12,15,22H,4,10-11,13-14,16H2,1-3H3
InChIKeyMFZDEJWPWALLAX-UHFFFAOYSA-N
XLogP1.71
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120931181) is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4-pyrazol-1-ylpiperidine-4-carboxamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is MFZDEJWPWALLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-4-25(16-17-6-8-18(9-7-17)19(27)24(2)3)20(28)21(10-13-22-14-11-21)26-15-5-12-23-26/h5-9,12,15,22H,4,10-11,13-14,16H2,1-3H3.
What are the key properties of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120931181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).