2-[4-[(4-piperidin-4-ylphenyl)carbamoyl]piperidin-1-yl]acetic acid

C19H27N3O3 — CID 18783777

IUPAC2-[4-[(4-piperidin-4-ylphenyl)carbamoyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(C(=O)Nc2ccc(C3CCNCC3)cc2)CC1
InChIInChI=1S/C19H27N3O3/c23-18(24)13-22-11-7-16(8-12-22)19(25)21-17-3-1-14(2-4-17)15-5-9-20-10-6-15/h1-4,15-16,20H,5-13H2,(H,21,25)(H,23,24)
InChIKeyNBGZZYOCNVDHIP-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.89
Rot. Bonds5

About 2-[4-[(4-piperidin-4-ylphenyl)carbamoyl]piperidin-1-yl]acetic acid

2-[4-[(4-piperidin-4-ylphenyl)carbamoyl]piperidin-1-yl]acetic acid (PubChem CID 18783777) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[4-[(4-piperidin-4-ylphenyl)carbamoyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-piperidin-4-ylphenyl)carbamoyl]piperidin-1-yl]acetic acid
PubChem CID18783777
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-[4-[(4-piperidin-4-ylphenyl)carbamoyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(C(=O)Nc2ccc(C3CCNCC3)cc2)CC1
InChIInChI=1S/C19H27N3O3/c23-18(24)13-22-11-7-16(8-12-22)19(25)21-17-3-1-14(2-4-17)15-5-9-20-10-6-15/h1-4,15-16,20H,5-13H2,(H,21,25)(H,23,24)
InChIKeyNBGZZYOCNVDHIP-UHFFFAOYSA-N
XLogP1.89
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide
CID 173252213
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
1-(2-amino-2-oxoethyl)-N-phenylpiperidine-4-carboxamide
CID 9134210
2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone
CID 67794190
1-[2-(methylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 78817800
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide
CID 119848878
3-[4-[(4-piperidin-4-ylphenyl)carbamoyl]phenyl]propanoic acid;hydrochloride
CID 67844932
(3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 90012477
3-[4-[(4-piperidin-4-ylbenzoyl)amino]piperidin-1-yl]propanoic acid
CID 67844916
N-(4-hydroxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120981373
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-piperidin-4-ylphenyl)carbamoyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(4-piperidin-4-ylphenyl)carbamoyl]piperidin-1-yl]acetic acid (CID 18783777) is 2-[4-[(4-piperidin-4-ylphenyl)carbamoyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-piperidin-4-ylphenyl)carbamoyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-piperidin-4-ylphenyl)carbamoyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(C(=O)Nc2ccc(C3CCNCC3)cc2)CC1.
What is the InChIKey of 2-[4-[(4-piperidin-4-ylphenyl)carbamoyl]piperidin-1-yl]acetic acid?
The InChIKey is NBGZZYOCNVDHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18(24)13-22-11-7-16(8-12-22)19(25)21-17-3-1-14(2-4-17)15-5-9-20-10-6-15/h1-4,15-16,20H,5-13H2,(H,21,25)(H,23,24).
What are the key properties of 2-[4-[(4-piperidin-4-ylphenyl)carbamoyl]piperidin-1-yl]acetic acid?
2-[4-[(4-piperidin-4-ylphenyl)carbamoyl]piperidin-1-yl]acetic acid has a molecular weight of 345.44 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-piperidin-4-ylphenyl)carbamoyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 18783777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).