1-phenyl-3-(piperidin-4-ylmethylamino)pentan-2-one

C17H26N2O — CID 90810257

IUPAC1-phenyl-3-(piperidin-4-ylmethylamino)pentan-2-one
SMILESCCC(NCC1CCNCC1)C(=O)Cc1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-16(19-13-15-8-10-18-11-9-15)17(20)12-14-6-4-3-5-7-14/h3-7,15-16,18-19H,2,8-13H2,1H3
InChIKeyIXIYHYGZFARLNO-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.17
Rot. Bonds7

About 1-phenyl-3-(piperidin-4-ylmethylamino)pentan-2-one

1-phenyl-3-(piperidin-4-ylmethylamino)pentan-2-one (PubChem CID 90810257) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-phenyl-3-(piperidin-4-ylmethylamino)pentan-2-one.

Molecular Properties

Compound Name1-phenyl-3-(piperidin-4-ylmethylamino)pentan-2-one
PubChem CID90810257
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-phenyl-3-(piperidin-4-ylmethylamino)pentan-2-one
SMILESCCC(NCC1CCNCC1)C(=O)Cc1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-16(19-13-15-8-10-18-11-9-15)17(20)12-14-6-4-3-5-7-14/h3-7,15-16,18-19H,2,8-13H2,1H3
InChIKeyIXIYHYGZFARLNO-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1445168
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CID 99779349
2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79720329
2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)acetamide
CID 43152403
1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
CID 79707917
N,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide
CID 79707370
1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride
CID 171393262
2-methoxy-2-phenyl-N-(piperidin-4-ylmethyl)acetamide
CID 62098228
N-phenylmethoxy-1-piperidin-4-ylmethanamine
CID 82709378
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
N'-(2-phenylacetyl)piperidine-4-carbohydrazide
CID 82121690

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(piperidin-4-ylmethylamino)pentan-2-one?
The IUPAC name of 1-phenyl-3-(piperidin-4-ylmethylamino)pentan-2-one (CID 90810257) is 1-phenyl-3-(piperidin-4-ylmethylamino)pentan-2-one.
What is the SMILES notation for 1-phenyl-3-(piperidin-4-ylmethylamino)pentan-2-one?
The canonical SMILES for 1-phenyl-3-(piperidin-4-ylmethylamino)pentan-2-one is CCC(NCC1CCNCC1)C(=O)Cc1ccccc1.
What is the InChIKey of 1-phenyl-3-(piperidin-4-ylmethylamino)pentan-2-one?
The InChIKey is IXIYHYGZFARLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-16(19-13-15-8-10-18-11-9-15)17(20)12-14-6-4-3-5-7-14/h3-7,15-16,18-19H,2,8-13H2,1H3.
What are the key properties of 1-phenyl-3-(piperidin-4-ylmethylamino)pentan-2-one?
1-phenyl-3-(piperidin-4-ylmethylamino)pentan-2-one has a molecular weight of 274.41 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(piperidin-4-ylmethylamino)pentan-2-one is sourced from PubChem (CID 90810257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).