N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide

C16H25N3O — CID 43145152

IUPACN-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-14(20)17-9-10-18-16-8-5-11-19(13-16)12-15-6-3-2-4-7-15/h2-4,6-7,16,18H,5,8-13H2,1H3,(H,17,20)
InChIKeyRBUIRCGSSAPBSW-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.38
Rot. Bonds6

About N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide

N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide (PubChem CID 43145152) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
PubChem CID43145152
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-14(20)17-9-10-18-16-8-5-11-19(13-16)12-15-6-3-2-4-7-15/h2-4,6-7,16,18H,5,8-13H2,1H3,(H,17,20)
InChIKeyRBUIRCGSSAPBSW-UHFFFAOYSA-N
XLogP1.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
(Z)-4-[(1-benzylpiperidin-3-yl)amino]-2-methylbut-2-enoic acid
CID 103254736
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
3-[2-[(1-benzylpyrrolidin-3-yl)amino]ethyl]-1,1-dimethylurea
CID 83108275
1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol
CID 115729123
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine
CID 115896173
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide (CID 43145152) is N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide is CC(=O)NCCNC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide?
The InChIKey is RBUIRCGSSAPBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-14(20)17-9-10-18-16-8-5-11-19(13-16)12-15-6-3-2-4-7-15/h2-4,6-7,16,18H,5,8-13H2,1H3,(H,17,20).
What are the key properties of N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide?
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide is sourced from PubChem (CID 43145152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).