(4R)-2,4-dihydroxy-5-oxo-4-[(2-phenylacetyl)amino]-5-piperazin-1-ylpentanamide

C17H24N4O5 — CID 67939303

IUPAC(4R)-2,4-dihydroxy-5-oxo-4-[(2-phenylacetyl)amino]-5-piperazin-1-ylpentanamide
SMILESNC(=O)C(O)C[C@](O)(NC(=O)Cc1ccccc1)C(=O)N1CCNCC1
InChIInChI=1S/C17H24N4O5/c18-15(24)13(22)11-17(26,16(25)21-8-6-19-7-9-21)20-14(23)10-12-4-2-1-3-5-12/h1-5,13,19,22,26H,6-11H2,(H2,18,24)(H,20,23)/t13?,17-/m1/s1
InChIKeyCNITXNPYLNTVNX-LRHAYUFXSA-N
MW364.40 g/mol
LogP-2.30
Rot. Bonds7

About (4R)-2,4-dihydroxy-5-oxo-4-[(2-phenylacetyl)amino]-5-piperazin-1-ylpentanamide

(4R)-2,4-dihydroxy-5-oxo-4-[(2-phenylacetyl)amino]-5-piperazin-1-ylpentanamide (PubChem CID 67939303) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is (4R)-2,4-dihydroxy-5-oxo-4-[(2-phenylacetyl)amino]-5-piperazin-1-ylpentanamide.

Molecular Properties

Compound Name(4R)-2,4-dihydroxy-5-oxo-4-[(2-phenylacetyl)amino]-5-piperazin-1-ylpentanamide
PubChem CID67939303
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name(4R)-2,4-dihydroxy-5-oxo-4-[(2-phenylacetyl)amino]-5-piperazin-1-ylpentanamide
SMILESNC(=O)C(O)C[C@](O)(NC(=O)Cc1ccccc1)C(=O)N1CCNCC1
InChIInChI=1S/C17H24N4O5/c18-15(24)13(22)11-17(26,16(25)21-8-6-19-7-9-21)20-14(23)10-12-4-2-1-3-5-12/h1-5,13,19,22,26H,6-11H2,(H2,18,24)(H,20,23)/t13?,17-/m1/s1
InChIKeyCNITXNPYLNTVNX-LRHAYUFXSA-N
XLogP-2.30
TPSA144.99 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 5-2.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
benzyl N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate
CID 93481132
2-benzyl-1-piperazin-1-ylprop-2-en-1-one;hydrochloride
CID 89249533
(2R)-2-amino-1-(1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 78985520
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
3-phenyl-1-piperazin-1-yl-2-sulfanylpropan-1-one
CID 82511771
1-benzyl-1-piperazin-1-ylurea
CID 155292874
2,3-diphenyl-1-piperazin-1-ylpropan-1-one
CID 57105688
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
benzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate
CID 93481134
1-(1,4-diazepan-1-yl)-2,2-dimethyl-5-phenylpentan-1-one
CID 119414461
2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone
CID 108533382

Frequently Asked Questions

What is the IUPAC name of (4R)-2,4-dihydroxy-5-oxo-4-[(2-phenylacetyl)amino]-5-piperazin-1-ylpentanamide?
The IUPAC name of (4R)-2,4-dihydroxy-5-oxo-4-[(2-phenylacetyl)amino]-5-piperazin-1-ylpentanamide (CID 67939303) is (4R)-2,4-dihydroxy-5-oxo-4-[(2-phenylacetyl)amino]-5-piperazin-1-ylpentanamide.
What is the SMILES notation for (4R)-2,4-dihydroxy-5-oxo-4-[(2-phenylacetyl)amino]-5-piperazin-1-ylpentanamide?
The canonical SMILES for (4R)-2,4-dihydroxy-5-oxo-4-[(2-phenylacetyl)amino]-5-piperazin-1-ylpentanamide is NC(=O)C(O)C[C@](O)(NC(=O)Cc1ccccc1)C(=O)N1CCNCC1.
What is the InChIKey of (4R)-2,4-dihydroxy-5-oxo-4-[(2-phenylacetyl)amino]-5-piperazin-1-ylpentanamide?
The InChIKey is CNITXNPYLNTVNX-LRHAYUFXSA-N. The full InChI is InChI=1S/C17H24N4O5/c18-15(24)13(22)11-17(26,16(25)21-8-6-19-7-9-21)20-14(23)10-12-4-2-1-3-5-12/h1-5,13,19,22,26H,6-11H2,(H2,18,24)(H,20,23)/t13?,17-/m1/s1.
What are the key properties of (4R)-2,4-dihydroxy-5-oxo-4-[(2-phenylacetyl)amino]-5-piperazin-1-ylpentanamide?
(4R)-2,4-dihydroxy-5-oxo-4-[(2-phenylacetyl)amino]-5-piperazin-1-ylpentanamide has a molecular weight of 364.40 g/mol, XLogP of -2.30, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,4-dihydroxy-5-oxo-4-[(2-phenylacetyl)amino]-5-piperazin-1-ylpentanamide is sourced from PubChem (CID 67939303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).