4-[4-[(3S)-3-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidin-1-yl]pyridine-2-carbonitrile

C20H29N5O — CID 68825459

IUPAC4-[4-[(3S)-3-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCC(C)N1CCN(C(=O)C2CCN(c3ccnc(C#N)c3)CC2)C[C@@H]1C
InChIInChI=1S/C20H29N5O/c1-15(2)25-11-10-24(14-16(25)3)20(26)17-5-8-23(9-6-17)19-4-7-22-18(12-19)13-21/h4,7,12,15-17H,5-6,8-11,14H2,1-3H3/t16-/m0/s1
InChIKeyDCNIEPCBEBBKFQ-INIZCTEOSA-N
MW355.49 g/mol
LogP2.11
Rot. Bonds3

About 4-[4-[(3S)-3-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidin-1-yl]pyridine-2-carbonitrile

4-[4-[(3S)-3-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 68825459) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-[4-[(3S)-3-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-[(3S)-3-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID68825459
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name4-[4-[(3S)-3-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCC(C)N1CCN(C(=O)C2CCN(c3ccnc(C#N)c3)CC2)C[C@@H]1C
InChIInChI=1S/C20H29N5O/c1-15(2)25-11-10-24(14-16(25)3)20(26)17-5-8-23(9-6-17)19-4-7-22-18(12-19)13-21/h4,7,12,15-17H,5-6,8-11,14H2,1-3H3/t16-/m0/s1
InChIKeyDCNIEPCBEBBKFQ-INIZCTEOSA-N
XLogP2.11
TPSA63.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-[(3S)-3-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidin-1-yl]pyridine-2-carbonitrile with MolForge

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Related Compounds

4-[3-(3-methyl-4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile;hydrochloride
CID 69185991
ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate
CID 62492327
4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
CID 62492159
4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 63594687
4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 62924964
4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 104892898
N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736284
3-[1-(2-cyano-4-pyridinyl)piperidin-4-yl]propanoic acid
CID 62924471
(3S,4S)-1-(2-cyano-4-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063676
[(3S)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone;hydrochloride
CID 69136130
4-(4-methylsulfanylazepan-1-yl)pyridine-2-carbonitrile
CID 114237214
4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile
CID 62491625

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3S)-3-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-[(3S)-3-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidin-1-yl]pyridine-2-carbonitrile (CID 68825459) is 4-[4-[(3S)-3-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-[(3S)-3-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-[(3S)-3-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidin-1-yl]pyridine-2-carbonitrile is CC(C)N1CCN(C(=O)C2CCN(c3ccnc(C#N)c3)CC2)C[C@@H]1C.
What is the InChIKey of 4-[4-[(3S)-3-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is DCNIEPCBEBBKFQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N5O/c1-15(2)25-11-10-24(14-16(25)3)20(26)17-5-8-23(9-6-17)19-4-7-22-18(12-19)13-21/h4,7,12,15-17H,5-6,8-11,14H2,1-3H3/t16-/m0/s1.
What are the key properties of 4-[4-[(3S)-3-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidin-1-yl]pyridine-2-carbonitrile?
4-[4-[(3S)-3-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 355.49 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3S)-3-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 68825459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).