N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide

C22H30N4O5 — CID 3685127

IUPACN-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)C1=CC(NC(=O)C2CCNCC2)C(O)C(O)C1
InChIInChI=1S/C22H30N4O5/c23-20(29)17(10-13-4-2-1-3-5-13)26-22(31)15-11-16(19(28)18(27)12-15)25-21(30)14-6-8-24-9-7-14/h1-5,11,14,16-19,24,27-28H,6-10,12H2,(H2,23,29)(H,25,30)(H,26,31)
InChIKeyGHYAYTGAKNEIQI-UHFFFAOYSA-N
MW430.51 g/mol
LogP-1.26
Rot. Bonds7

About N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide

N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide (PubChem CID 3685127) has the molecular formula C22H30N4O5 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide
PubChem CID3685127
Molecular FormulaC22H30N4O5
Molecular Weight430.51 g/mol
Exact Mass430.22
IUPAC NameN-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)C1=CC(NC(=O)C2CCNCC2)C(O)C(O)C1
InChIInChI=1S/C22H30N4O5/c23-20(29)17(10-13-4-2-1-3-5-13)26-22(31)15-11-16(19(28)18(27)12-15)25-21(30)14-6-8-24-9-7-14/h1-5,11,14,16-19,24,27-28H,6-10,12H2,(H2,23,29)(H,25,30)(H,26,31)
InChIKeyGHYAYTGAKNEIQI-UHFFFAOYSA-N
XLogP-1.26
TPSA153.78 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 5-1.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide
CID 7050090
2-[2-[[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 3801911
[(2S)-1-[[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylazanium
CID 11866304
(3S,4R,5R)-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4,5-dihydroxy-3-[(4-methylphenyl)carbamoylamino]cyclohexene-1-carboxamide
CID 163024520
N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrazine-2-carboxamide
CID 7050112
2-[1-[2-[[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 7050120
(2S)-3-phenyl-2-(piperidine-4-carbonylamino)propanoic acid
CID 59706027
(3R,4R,5R)-N-[(2S)-1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4,5-dihydroxy-3-(propylcarbamoylamino)cyclohexene-1-carboxamide
CID 11865671
N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]furan-2-carboxamide
CID 7050082
(3R,4R,5R)-3-[(3-acetylphenyl)carbamoylamino]-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4,5-dihydroxycyclohexene-1-carboxamide
CID 11912276
N-[3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrrolidine-2-carboxamide
CID 3675354
N-[1-oxo-3-phenyl-1-(piperidin-4-ylamino)propan-2-yl]furan-2-carboxamide
CID 119388874

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide?
The IUPAC name of N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide (CID 3685127) is N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide is NC(=O)C(Cc1ccccc1)NC(=O)C1=CC(NC(=O)C2CCNCC2)C(O)C(O)C1.
What is the InChIKey of N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide?
The InChIKey is GHYAYTGAKNEIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5/c23-20(29)17(10-13-4-2-1-3-5-13)26-22(31)15-11-16(19(28)18(27)12-15)25-21(30)14-6-8-24-9-7-14/h1-5,11,14,16-19,24,27-28H,6-10,12H2,(H2,23,29)(H,25,30)(H,26,31).
What are the key properties of N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide?
N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of -1.26, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 3685127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).