4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-imidazol-1-ylpentan-2-one

C16H26N4O2 — CID 147903120

IUPAC4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-imidazol-1-ylpentan-2-one
SMILESCC(CC(=O)Cn1ccnc1)C1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C16H26N4O2/c1-12(9-15(21)10-19-8-5-18-11-19)14-3-6-20(7-4-14)16(22)13(2)17/h5,8,11-14H,3-4,6-7,9-10,17H2,1-2H3/t12?,13-/m0/s1
InChIKeyIEQVNAQBYVCRRX-ABLWVSNPSA-N
MW306.41 g/mol
LogP1.06
Rot. Bonds6

About 4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-imidazol-1-ylpentan-2-one

4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-imidazol-1-ylpentan-2-one (PubChem CID 147903120) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-imidazol-1-ylpentan-2-one.

Molecular Properties

Compound Name4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-imidazol-1-ylpentan-2-one
PubChem CID147903120
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-imidazol-1-ylpentan-2-one
SMILESCC(CC(=O)Cn1ccnc1)C1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C16H26N4O2/c1-12(9-15(21)10-19-8-5-18-11-19)14-3-6-20(7-4-14)16(22)13(2)17/h5,8,11-14H,3-4,6-7,9-10,17H2,1-2H3/t12?,13-/m0/s1
InChIKeyIEQVNAQBYVCRRX-ABLWVSNPSA-N
XLogP1.06
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-imidazol-1-ylpentan-2-one with MolForge

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Related Compounds

3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(1-methylpyrazol-3-yl)butan-1-one
CID 160603771
3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-pyrazin-2-ylbutan-1-one
CID 159889449
3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(1-methylimidazol-2-yl)butan-1-one
CID 158996050
3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-amino-3-pyridinyl)butan-1-one
CID 159740350
4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-fluorophenyl)pentan-2-one
CID 147207500
3-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropylfuran-3-yl)butan-1-one
CID 158448684
1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone
CID 110849987
5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one
CID 152901113
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079
(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one
CID 66564392
2-amino-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115734771
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-imidazol-1-ylpentan-2-one?
The IUPAC name of 4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-imidazol-1-ylpentan-2-one (CID 147903120) is 4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-imidazol-1-ylpentan-2-one.
What is the SMILES notation for 4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-imidazol-1-ylpentan-2-one?
The canonical SMILES for 4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-imidazol-1-ylpentan-2-one is CC(CC(=O)Cn1ccnc1)C1CCN(C(=O)[C@H](C)N)CC1.
What is the InChIKey of 4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-imidazol-1-ylpentan-2-one?
The InChIKey is IEQVNAQBYVCRRX-ABLWVSNPSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12(9-15(21)10-19-8-5-18-11-19)14-3-6-20(7-4-14)16(22)13(2)17/h5,8,11-14H,3-4,6-7,9-10,17H2,1-2H3/t12?,13-/m0/s1.
What are the key properties of 4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-imidazol-1-ylpentan-2-one?
4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-imidazol-1-ylpentan-2-one has a molecular weight of 306.41 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-imidazol-1-ylpentan-2-one is sourced from PubChem (CID 147903120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).