2-amino-4-anilino-N-(1-benzylpiperidin-4-yl)heptanamide

C25H36N4O — CID 122489070

IUPAC2-amino-4-anilino-N-(1-benzylpiperidin-4-yl)heptanamide
SMILESCCCC(CC(N)C(=O)NC1CCN(Cc2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C25H36N4O/c1-2-9-23(27-21-12-7-4-8-13-21)18-24(26)25(30)28-22-14-16-29(17-15-22)19-20-10-5-3-6-11-20/h3-8,10-13,22-24,27H,2,9,14-19,26H2,1H3,(H,28,30)
InChIKeyCNYLEQFKCFZOMZ-UHFFFAOYSA-N
MW408.59 g/mol
LogP3.77
Rot. Bonds10

About 2-amino-4-anilino-N-(1-benzylpiperidin-4-yl)heptanamide

2-amino-4-anilino-N-(1-benzylpiperidin-4-yl)heptanamide (PubChem CID 122489070) has the molecular formula C25H36N4O and a molecular weight of 408.59 g/mol. Its IUPAC name is 2-amino-4-anilino-N-(1-benzylpiperidin-4-yl)heptanamide.

Molecular Properties

Compound Name2-amino-4-anilino-N-(1-benzylpiperidin-4-yl)heptanamide
PubChem CID122489070
Molecular FormulaC25H36N4O
Molecular Weight408.59 g/mol
Exact Mass408.29
IUPAC Name2-amino-4-anilino-N-(1-benzylpiperidin-4-yl)heptanamide
SMILESCCCC(CC(N)C(=O)NC1CCN(Cc2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C25H36N4O/c1-2-9-23(27-21-12-7-4-8-13-21)18-24(26)25(30)28-22-14-16-29(17-15-22)19-20-10-5-3-6-11-20/h3-8,10-13,22-24,27H,2,9,14-19,26H2,1H3,(H,28,30)
InChIKeyCNYLEQFKCFZOMZ-UHFFFAOYSA-N
XLogP3.77
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119831669
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
CID 80541388
2-amino-N-(1-ethylpiperidin-4-yl)-3-phenylpropanamide
CID 61039141
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 136554367
N-(1-benzylpiperidin-4-yl)-2-[(4-bromophenyl)sulfonylamino]pentanamide
CID 42702862
(2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119844586
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride
CID 119864228
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-3-(4-phenylmethoxyphenyl)propanamide
CID 54424840

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-anilino-N-(1-benzylpiperidin-4-yl)heptanamide?
The IUPAC name of 2-amino-4-anilino-N-(1-benzylpiperidin-4-yl)heptanamide (CID 122489070) is 2-amino-4-anilino-N-(1-benzylpiperidin-4-yl)heptanamide.
What is the SMILES notation for 2-amino-4-anilino-N-(1-benzylpiperidin-4-yl)heptanamide?
The canonical SMILES for 2-amino-4-anilino-N-(1-benzylpiperidin-4-yl)heptanamide is CCCC(CC(N)C(=O)NC1CCN(Cc2ccccc2)CC1)Nc1ccccc1.
What is the InChIKey of 2-amino-4-anilino-N-(1-benzylpiperidin-4-yl)heptanamide?
The InChIKey is CNYLEQFKCFZOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O/c1-2-9-23(27-21-12-7-4-8-13-21)18-24(26)25(30)28-22-14-16-29(17-15-22)19-20-10-5-3-6-11-20/h3-8,10-13,22-24,27H,2,9,14-19,26H2,1H3,(H,28,30).
What are the key properties of 2-amino-4-anilino-N-(1-benzylpiperidin-4-yl)heptanamide?
2-amino-4-anilino-N-(1-benzylpiperidin-4-yl)heptanamide has a molecular weight of 408.59 g/mol, XLogP of 3.77, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-anilino-N-(1-benzylpiperidin-4-yl)heptanamide is sourced from PubChem (CID 122489070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).