N,N-dimethyl-5-phenyl-2-propan-2-ylpiperazine-1-carboxamide

C16H25N3O — CID 82248277

IUPACN,N-dimethyl-5-phenyl-2-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)C1CNC(c2ccccc2)CN1C(=O)N(C)C
InChIInChI=1S/C16H25N3O/c1-12(2)15-10-17-14(13-8-6-5-7-9-13)11-19(15)16(20)18(3)4/h5-9,12,14-15,17H,10-11H2,1-4H3
InChIKeySRVIWGWUADKYND-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.34
Rot. Bonds2

About N,N-dimethyl-5-phenyl-2-propan-2-ylpiperazine-1-carboxamide

N,N-dimethyl-5-phenyl-2-propan-2-ylpiperazine-1-carboxamide (PubChem CID 82248277) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N,N-dimethyl-5-phenyl-2-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-phenyl-2-propan-2-ylpiperazine-1-carboxamide
PubChem CID82248277
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN,N-dimethyl-5-phenyl-2-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)C1CNC(c2ccccc2)CN1C(=O)N(C)C
InChIInChI=1S/C16H25N3O/c1-12(2)15-10-17-14(13-8-6-5-7-9-13)11-19(15)16(20)18(3)4/h5-9,12,14-15,17H,10-11H2,1-4H3
InChIKeySRVIWGWUADKYND-UHFFFAOYSA-N
XLogP2.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 544877
4-benzhydryl-N-butylpiperazine-1-carboxamide
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(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
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CID 231403

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-phenyl-2-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-5-phenyl-2-propan-2-ylpiperazine-1-carboxamide (CID 82248277) is N,N-dimethyl-5-phenyl-2-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-phenyl-2-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-5-phenyl-2-propan-2-ylpiperazine-1-carboxamide is CC(C)C1CNC(c2ccccc2)CN1C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-5-phenyl-2-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is SRVIWGWUADKYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)15-10-17-14(13-8-6-5-7-9-13)11-19(15)16(20)18(3)4/h5-9,12,14-15,17H,10-11H2,1-4H3.
What are the key properties of N,N-dimethyl-5-phenyl-2-propan-2-ylpiperazine-1-carboxamide?
N,N-dimethyl-5-phenyl-2-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-phenyl-2-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 82248277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).