N-[4-(2-cyanopropan-2-yl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperidine-1-carboxamide

C19H26N4O2 — CID 71982862

IUPACN-[4-(2-cyanopropan-2-yl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperidine-1-carboxamide
SMILESCNC(=O)CC1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1
InChIInChI=1S/C19H26N4O2/c1-19(2,13-20)15-4-6-16(7-5-15)22-18(25)23-10-8-14(9-11-23)12-17(24)21-3/h4-7,14H,8-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyZUGAFQBXBMZGIJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.87
Rot. Bonds4

About N-[4-(2-cyanopropan-2-yl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperidine-1-carboxamide

N-[4-(2-cyanopropan-2-yl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperidine-1-carboxamide (PubChem CID 71982862) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[4-(2-cyanopropan-2-yl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-cyanopropan-2-yl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperidine-1-carboxamide
PubChem CID71982862
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[4-(2-cyanopropan-2-yl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperidine-1-carboxamide
SMILESCNC(=O)CC1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1
InChIInChI=1S/C19H26N4O2/c1-19(2,13-20)15-4-6-16(7-5-15)22-18(25)23-10-8-14(9-11-23)12-17(24)21-3/h4-7,14H,8-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyZUGAFQBXBMZGIJ-UHFFFAOYSA-N
XLogP2.87
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(2-cyanopropan-2-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075851
N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-methoxypiperidin-1-yl)-2-oxoacetamide
CID 87040040
N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 110754677
N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide
CID 52998818
N-[4-(2-cyanopropan-2-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285468
4-[2-(methylamino)-2-oxoethyl]-N-(3-methyl-4-pyridinyl)piperidine-1-carboxamide
CID 138042028
4-[2-(methylamino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 75503757
4-(methylaminomethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 63248764
N-(4-methylphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53033008
4-[(4-tert-butylphenyl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71958612
N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide
CID 20630756
N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide
CID 52998819

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanopropan-2-yl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperidine-1-carboxamide?
The IUPAC name of N-[4-(2-cyanopropan-2-yl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperidine-1-carboxamide (CID 71982862) is N-[4-(2-cyanopropan-2-yl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(2-cyanopropan-2-yl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[4-(2-cyanopropan-2-yl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperidine-1-carboxamide is CNC(=O)CC1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1.
What is the InChIKey of N-[4-(2-cyanopropan-2-yl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperidine-1-carboxamide?
The InChIKey is ZUGAFQBXBMZGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(2,13-20)15-4-6-16(7-5-15)22-18(25)23-10-8-14(9-11-23)12-17(24)21-3/h4-7,14H,8-12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-(2-cyanopropan-2-yl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperidine-1-carboxamide?
N-[4-(2-cyanopropan-2-yl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanopropan-2-yl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperidine-1-carboxamide is sourced from PubChem (CID 71982862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).