3-[4-[(4-piperidin-4-ylbenzoyl)amino]piperidin-1-yl]propanoic acid

C20H29N3O3 — CID 67844916

IUPAC3-[4-[(4-piperidin-4-ylbenzoyl)amino]piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(NC(=O)c2ccc(C3CCNCC3)cc2)CC1
InChIInChI=1S/C20H29N3O3/c24-19(25)9-14-23-12-7-18(8-13-23)22-20(26)17-3-1-15(2-4-17)16-5-10-21-11-6-16/h1-4,16,18,21H,5-14H2,(H,22,26)(H,24,25)
InChIKeyUNZQHGKNOQBIQP-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.82
Rot. Bonds6

About 3-[4-[(4-piperidin-4-ylbenzoyl)amino]piperidin-1-yl]propanoic acid

3-[4-[(4-piperidin-4-ylbenzoyl)amino]piperidin-1-yl]propanoic acid (PubChem CID 67844916) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-[4-[(4-piperidin-4-ylbenzoyl)amino]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(4-piperidin-4-ylbenzoyl)amino]piperidin-1-yl]propanoic acid
PubChem CID67844916
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name3-[4-[(4-piperidin-4-ylbenzoyl)amino]piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(NC(=O)c2ccc(C3CCNCC3)cc2)CC1
InChIInChI=1S/C20H29N3O3/c24-19(25)9-14-23-12-7-18(8-13-23)22-20(26)17-3-1-15(2-4-17)16-5-10-21-11-6-16/h1-4,16,18,21H,5-14H2,(H,22,26)(H,24,25)
InChIKeyUNZQHGKNOQBIQP-UHFFFAOYSA-N
XLogP1.82
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoic acid
CID 67844674
methyl 4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexane-1-carboxylate
CID 67844920
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyclohexylbenzamide
CID 46687376
carbonic acid;N-cyclohexyl-4-(2-piperazin-1-ylethyl)benzamide
CID 22362372
3-[4-[(4-piperidin-4-ylphenyl)carbamoyl]phenyl]propanoic acid;hydrochloride
CID 67844932
propan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate
CID 67844937
3-[4-[(4-piperazin-1-ylbenzoyl)amino]cyclohexyl]propanoic acid
CID 67844654
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
3-methyl-N-(1-methylpiperidin-4-yl)-5-piperidin-4-ylbenzamide
CID 165436175
3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoic acid;dihydrochloride
CID 67762474
2-[4-[(4-piperidin-4-ylphenyl)carbamoyl]piperidin-1-yl]acetic acid
CID 18783777

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-piperidin-4-ylbenzoyl)amino]piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(4-piperidin-4-ylbenzoyl)amino]piperidin-1-yl]propanoic acid (CID 67844916) is 3-[4-[(4-piperidin-4-ylbenzoyl)amino]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(4-piperidin-4-ylbenzoyl)amino]piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(4-piperidin-4-ylbenzoyl)amino]piperidin-1-yl]propanoic acid is O=C(O)CCN1CCC(NC(=O)c2ccc(C3CCNCC3)cc2)CC1.
What is the InChIKey of 3-[4-[(4-piperidin-4-ylbenzoyl)amino]piperidin-1-yl]propanoic acid?
The InChIKey is UNZQHGKNOQBIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-19(25)9-14-23-12-7-18(8-13-23)22-20(26)17-3-1-15(2-4-17)16-5-10-21-11-6-16/h1-4,16,18,21H,5-14H2,(H,22,26)(H,24,25).
What are the key properties of 3-[4-[(4-piperidin-4-ylbenzoyl)amino]piperidin-1-yl]propanoic acid?
3-[4-[(4-piperidin-4-ylbenzoyl)amino]piperidin-1-yl]propanoic acid has a molecular weight of 359.47 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-piperidin-4-ylbenzoyl)amino]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 67844916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).