4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid

C23H29N3O3 — CID 122064237

IUPAC4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid
SMILESCC1CCN(C(=O)c2ccc(NC(CCC(=O)O)Cc3ccccc3)nc2)CC1
InChIInChI=1S/C23H29N3O3/c1-17-11-13-26(14-12-17)23(29)19-7-9-21(24-16-19)25-20(8-10-22(27)28)15-18-5-3-2-4-6-18/h2-7,9,16-17,20H,8,10-15H2,1H3,(H,24,25)(H,27,28)
InChIKeyLSLQCTXMMDXIKS-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.84
Rot. Bonds8

About 4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid

4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid (PubChem CID 122064237) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid
PubChem CID122064237
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid
SMILESCC1CCN(C(=O)c2ccc(NC(CCC(=O)O)Cc3ccccc3)nc2)CC1
InChIInChI=1S/C23H29N3O3/c1-17-11-13-26(14-12-17)23(29)19-7-9-21(24-16-19)25-20(8-10-22(27)28)15-18-5-3-2-4-6-18/h2-7,9,16-17,20H,8,10-15H2,1H3,(H,24,25)(H,27,28)
InChIKeyLSLQCTXMMDXIKS-UHFFFAOYSA-N
XLogP3.84
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
(2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid
CID 122050434
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone
CID 86977180
[6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133351592
[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 95227967
[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
(6-hydrazinyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62237527
1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one
CID 133366494
(4-methylpiperidin-1-yl)-[6-[(2-propylcyclopropyl)amino]-3-pyridinyl]methanone
CID 133327530
6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 63011971
(4-methylpiperidin-1-yl)-[6-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]methanone
CID 133337250

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid (CID 122064237) is 4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid is CC1CCN(C(=O)c2ccc(NC(CCC(=O)O)Cc3ccccc3)nc2)CC1.
What is the InChIKey of 4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid?
The InChIKey is LSLQCTXMMDXIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17-11-13-26(14-12-17)23(29)19-7-9-21(24-16-19)25-20(8-10-22(27)28)15-18-5-3-2-4-6-18/h2-7,9,16-17,20H,8,10-15H2,1H3,(H,24,25)(H,27,28).
What are the key properties of 4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid?
4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid has a molecular weight of 395.50 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122064237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).