(2R,6R)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]-2,6-dimethylpiperidine-1-carboxamide

C22H35N5O — CID 129364144

IUPAC(2R,6R)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]-2,6-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)Nc1ccnc(N2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C22H35N5O/c1-17-6-5-7-18(2)27(17)22(28)24-19-10-11-23-21(16-19)26-14-12-25(13-15-26)20-8-3-4-9-20/h10-11,16-18,20H,3-9,12-15H2,1-2H3,(H,23,24,28)/t17-,18-/m1/s1
InChIKeyGADYFJUKSKWXMW-QZTJIDSGSA-N
MW385.56 g/mol
LogP3.94
Rot. Bonds3

About (2R,6R)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]-2,6-dimethylpiperidine-1-carboxamide

(2R,6R)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]-2,6-dimethylpiperidine-1-carboxamide (PubChem CID 129364144) has the molecular formula C22H35N5O and a molecular weight of 385.56 g/mol. Its IUPAC name is (2R,6R)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]-2,6-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2R,6R)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]-2,6-dimethylpiperidine-1-carboxamide
PubChem CID129364144
Molecular FormulaC22H35N5O
Molecular Weight385.56 g/mol
Exact Mass385.28
IUPAC Name(2R,6R)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]-2,6-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)Nc1ccnc(N2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C22H35N5O/c1-17-6-5-7-18(2)27(17)22(28)24-19-10-11-23-21(16-19)26-14-12-25(13-15-26)20-8-3-4-9-20/h10-11,16-18,20H,3-9,12-15H2,1-2H3,(H,23,24,28)/t17-,18-/m1/s1
InChIKeyGADYFJUKSKWXMW-QZTJIDSGSA-N
XLogP3.94
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]-2,6-dimethylpiperidine-1-carboxamide?
The IUPAC name of (2R,6R)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]-2,6-dimethylpiperidine-1-carboxamide (CID 129364144) is (2R,6R)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]-2,6-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (2R,6R)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]-2,6-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (2R,6R)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]-2,6-dimethylpiperidine-1-carboxamide is C[C@@H]1CCC[C@@H](C)N1C(=O)Nc1ccnc(N2CCN(C3CCCC3)CC2)c1.
What is the InChIKey of (2R,6R)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]-2,6-dimethylpiperidine-1-carboxamide?
The InChIKey is GADYFJUKSKWXMW-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H35N5O/c1-17-6-5-7-18(2)27(17)22(28)24-19-10-11-23-21(16-19)26-14-12-25(13-15-26)20-8-3-4-9-20/h10-11,16-18,20H,3-9,12-15H2,1-2H3,(H,23,24,28)/t17-,18-/m1/s1.
What are the key properties of (2R,6R)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]-2,6-dimethylpiperidine-1-carboxamide?
(2R,6R)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]-2,6-dimethylpiperidine-1-carboxamide has a molecular weight of 385.56 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]-2,6-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 129364144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).