6-[4-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile

C21H25N5O — CID 97194787

IUPAC6-[4-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1ccccc1[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N(C)C
InChIInChI=1S/C21H25N5O/c1-16-6-4-5-7-18(16)20(24(2)3)21(27)26-12-10-25(11-13-26)19-9-8-17(14-22)15-23-19/h4-9,15,20H,10-13H2,1-3H3/t20-/m1/s1
InChIKeyVHFZWLRZSNFMPJ-HXUWFJFHSA-N
MW363.47 g/mol
LogP2.21
Rot. Bonds4

About 6-[4-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 97194787) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-[4-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID97194787
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name6-[4-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1ccccc1[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N(C)C
InChIInChI=1S/C21H25N5O/c1-16-6-4-5-7-18(16)20(24(2)3)21(27)26-12-10-25(11-13-26)19-9-8-17(14-22)15-23-19/h4-9,15,20H,10-13H2,1-3H3/t20-/m1/s1
InChIKeyVHFZWLRZSNFMPJ-HXUWFJFHSA-N
XLogP2.21
TPSA63.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 97197313
6-[4-[(2R)-2-pyrazol-1-ylbutanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 97151006
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 2746537
1-(5-cyano-2-pyridinyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17443908
4-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 97202211
2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 72931057
6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110420683
6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 136525323
4-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 110645062
6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122047879
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 97194787) is 6-[4-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile is Cc1ccccc1[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N(C)C.
What is the InChIKey of 6-[4-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is VHFZWLRZSNFMPJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16-6-4-5-7-18(16)20(24(2)3)21(27)26-12-10-25(11-13-26)19-9-8-17(14-22)15-23-19/h4-9,15,20H,10-13H2,1-3H3/t20-/m1/s1.
What are the key properties of 6-[4-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 363.47 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 97194787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).