5-phenyl-4-[[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]amino]pentanoic acid

C20H26N4O3 — CID 122028199

IUPAC5-phenyl-4-[[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]amino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N1CCC(c2cn[nH]c2)CC1
InChIInChI=1S/C20H26N4O3/c25-19(26)7-6-18(12-15-4-2-1-3-5-15)23-20(27)24-10-8-16(9-11-24)17-13-21-22-14-17/h1-5,13-14,16,18H,6-12H2,(H,21,22)(H,23,27)(H,25,26)
InChIKeyKSABKMGEVMGMDR-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.77
Rot. Bonds7

About 5-phenyl-4-[[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]amino]pentanoic acid

5-phenyl-4-[[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]amino]pentanoic acid (PubChem CID 122028199) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-phenyl-4-[[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]amino]pentanoic acid
PubChem CID122028199
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name5-phenyl-4-[[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]amino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N1CCC(c2cn[nH]c2)CC1
InChIInChI=1S/C20H26N4O3/c25-19(26)7-6-18(12-15-4-2-1-3-5-15)23-20(27)24-10-8-16(9-11-24)17-13-21-22-14-17/h1-5,13-14,16,18H,6-12H2,(H,21,22)(H,23,27)(H,25,26)
InChIKeyKSABKMGEVMGMDR-UHFFFAOYSA-N
XLogP2.77
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027266
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
5-phenyl-4-[[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]amino]pentanoic acid
CID 122028325
4-[(7-methyl-1,4-thiazepane-4-carbonyl)amino]-5-phenylpentanoic acid
CID 122027990
4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028037
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 122027108
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122027308
5-phenyl-4-[[4-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 122028268
4-[(5-oxo-1,4-diazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027125

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]amino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]amino]pentanoic acid (CID 122028199) is 5-phenyl-4-[[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]amino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]amino]pentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)N1CCC(c2cn[nH]c2)CC1.
What is the InChIKey of 5-phenyl-4-[[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]amino]pentanoic acid?
The InChIKey is KSABKMGEVMGMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-19(26)7-6-18(12-15-4-2-1-3-5-15)23-20(27)24-10-8-16(9-11-24)17-13-21-22-14-17/h1-5,13-14,16,18H,6-12H2,(H,21,22)(H,23,27)(H,25,26).
What are the key properties of 5-phenyl-4-[[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]amino]pentanoic acid?
5-phenyl-4-[[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]amino]pentanoic acid has a molecular weight of 370.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 122028199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).