2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide

C17H27N3O — CID 43746850

IUPAC2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide
SMILESCC(CCc1ccccc1)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C17H27N3O/c1-14(7-8-15-5-3-2-4-6-15)19-16-9-11-20(12-10-16)13-17(18)21/h2-6,14,16,19H,7-13H2,1H3,(H2,18,21)
InChIKeyKKRLECQDKSTIKD-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.55
Rot. Bonds7

About 2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide

2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide (PubChem CID 43746850) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide
PubChem CID43746850
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide
SMILESCC(CCc1ccccc1)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C17H27N3O/c1-14(7-8-15-5-3-2-4-6-15)19-16-9-11-20(12-10-16)13-17(18)21/h2-6,14,16,19H,7-13H2,1H3,(H2,18,21)
InChIKeyKKRLECQDKSTIKD-UHFFFAOYSA-N
XLogP1.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide
CID 115494179
1-methyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 61461386
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylsulfanylpropanamide
CID 24590893
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine
CID 43511639
1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone
CID 94923523
methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate
CID 8742230
2-[4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 131930592
(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide (CID 43746850) is 2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide is CC(CCc1ccccc1)NC1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide?
The InChIKey is KKRLECQDKSTIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(7-8-15-5-3-2-4-6-15)19-16-9-11-20(12-10-16)13-17(18)21/h2-6,14,16,19H,7-13H2,1H3,(H2,18,21).
What are the key properties of 2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide?
2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 43746850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).