2-[4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile

C22H27N5 — CID 124850327

IUPAC2-[4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(C[C@@H]2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C22H27N5/c23-15-21-7-4-9-24-22(21)27-13-11-25(12-14-27)17-20-8-10-26(18-20)16-19-5-2-1-3-6-19/h1-7,9,20H,8,10-14,16-18H2/t20-/m0/s1
InChIKeyQKBMFQQDSACRQL-FQEVSTJZSA-N
MW361.49 g/mol
LogP2.60
Rot. Bonds5

About 2-[4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile

2-[4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 124850327) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID124850327
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name2-[4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(C[C@@H]2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C22H27N5/c23-15-21-7-4-9-24-22(21)27-13-11-25(12-14-27)17-20-8-10-26(18-20)16-19-5-2-1-3-6-19/h1-7,9,20H,8,10-14,16-18H2/t20-/m0/s1
InChIKeyQKBMFQQDSACRQL-FQEVSTJZSA-N
XLogP2.60
TPSA46.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)pyridine-3-carbonitrile
CID 133332499
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 31618852
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134031869
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312
2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873922
1-[[1-(3-cyano-2-pyridinyl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 56714395
3-(1-benzylpyrrolidin-3-yl)propanenitrile
CID 83909920
(6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol
CID 97281064
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 35957748

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 124850327) is 2-[4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(C[C@@H]2CCN(Cc3ccccc3)C2)CC1.
What is the InChIKey of 2-[4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is QKBMFQQDSACRQL-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27N5/c23-15-21-7-4-9-24-22(21)27-13-11-25(12-14-27)17-20-8-10-26(18-20)16-19-5-2-1-3-6-19/h1-7,9,20H,8,10-14,16-18H2/t20-/m0/s1.
What are the key properties of 2-[4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 361.49 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 124850327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).