2,2-dimethyl-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]propanamide

C26H35N5O2 — CID 46038347

IUPAC2,2-dimethyl-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CCN(c2ccccc2C(=O)N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C26H35N5O2/c1-26(2,3)25(33)28-20-11-14-29(15-12-20)22-9-5-4-8-21(22)24(32)31-18-16-30(17-19-31)23-10-6-7-13-27-23/h4-10,13,20H,11-12,14-19H2,1-3H3,(H,28,33)
InChIKeyXOLKXCMMFXOQQU-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.18
Rot. Bonds4

About 2,2-dimethyl-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]propanamide

2,2-dimethyl-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]propanamide (PubChem CID 46038347) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]propanamide
PubChem CID46038347
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name2,2-dimethyl-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CCN(c2ccccc2C(=O)N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C26H35N5O2/c1-26(2,3)25(33)28-20-11-14-29(15-12-20)22-9-5-4-8-21(22)24(32)31-18-16-30(17-19-31)23-10-6-7-13-27-23/h4-10,13,20H,11-12,14-19H2,1-3H3,(H,28,33)
InChIKeyXOLKXCMMFXOQQU-UHFFFAOYSA-N
XLogP3.18
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038331
N-[1-[2-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 46038383
N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 108558809
2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 78804240
N-[1-[2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide
CID 24719026
2-[4-[2,4-dimethyl-5-[(1-phenylpiperidin-4-yl)amino]benzoyl]piperazin-1-yl]benzonitrile;bis(2-[4-[2,4-dimethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)anilino]piperidin-1-yl]benzonitrile)
CID 159383403
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108814544
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109050733
N-cyclopropyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109093874
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]propanamide (CID 46038347) is 2,2-dimethyl-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]propanamide is CC(C)(C)C(=O)NC1CCN(c2ccccc2C(=O)N2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]propanamide?
The InChIKey is XOLKXCMMFXOQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-26(2,3)25(33)28-20-11-14-29(15-12-20)22-9-5-4-8-21(22)24(32)31-18-16-30(17-19-31)23-10-6-7-13-27-23/h4-10,13,20H,11-12,14-19H2,1-3H3,(H,28,33).
What are the key properties of 2,2-dimethyl-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]propanamide?
2,2-dimethyl-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]propanamide has a molecular weight of 449.60 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 46038347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).