4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide

C16H24N4O2 — CID 47014446

IUPAC4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccn1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C16H24N4O2/c21-16(18-12-14-4-1-2-6-17-14)20-9-7-19(8-10-20)13-15-5-3-11-22-15/h1-2,4,6,15H,3,5,7-13H2,(H,18,21)
InChIKeyVVPXOMQFZFPXHW-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.09
Rot. Bonds4

About 4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide

4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 47014446) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID47014446
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccn1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C16H24N4O2/c21-16(18-12-14-4-1-2-6-17-14)20-9-7-19(8-10-20)13-15-5-3-11-22-15/h1-2,4,6,15H,3,5,7-13H2,(H,18,21)
InChIKeyVVPXOMQFZFPXHW-UHFFFAOYSA-N
XLogP1.09
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99708470
[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9209032
N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105421
N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99715154
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 51084434
4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 75889826
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
(3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 95150905
N-[[(2R)-oxolan-2-yl]methyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 121496359
N-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethyl)piperazine-1-carbothioamide
CID 133185637
4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113104916
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 51074101

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 47014446) is 4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide is O=C(NCc1ccccn1)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of 4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is VVPXOMQFZFPXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-16(18-12-14-4-1-2-6-17-14)20-9-7-19(8-10-20)13-15-5-3-11-22-15/h1-2,4,6,15H,3,5,7-13H2,(H,18,21).
What are the key properties of 4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 47014446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).