4-[(4-carbamoylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid

C19H26N2O5 — CID 67384770

IUPAC4-[(4-carbamoylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)C1(Cc2ccc(C(N)=O)cc2)CCN(C(=O)O)CC1
InChIInChI=1S/C19H26N2O5/c1-18(2,3)26-16(23)19(8-10-21(11-9-19)17(24)25)12-13-4-6-14(7-5-13)15(20)22/h4-7H,8-12H2,1-3H3,(H2,20,22)(H,24,25)
InChIKeyPCTLBCWOBQSXGE-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.43
Rot. Bonds4

About 4-[(4-carbamoylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid

4-[(4-carbamoylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid (PubChem CID 67384770) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[(4-carbamoylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-carbamoylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
PubChem CID67384770
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name4-[(4-carbamoylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)C1(Cc2ccc(C(N)=O)cc2)CCN(C(=O)O)CC1
InChIInChI=1S/C19H26N2O5/c1-18(2,3)26-16(23)19(8-10-21(11-9-19)17(24)25)12-13-4-6-14(7-5-13)15(20)22/h4-7H,8-12H2,1-3H3,(H2,20,22)(H,24,25)
InChIKeyPCTLBCWOBQSXGE-UHFFFAOYSA-N
XLogP2.43
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-carbamoylphenyl)methyl]piperidine-1,4-dicarboxylic acid
CID 67419609
4-(2,2-dimethylpropoxycarbonyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 166757132
1-O-tert-butyl 4-O-methyl 4-benzylpiperidine-1,4-dicarboxylate
CID 20664732
4-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid
CID 70873051
cyclohexyl 4-[(4-carbamoylphenyl)methyl]-1-methylpiperidine-4-carboxylate
CID 174682899
4-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 67155743
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(pyridin-4-ylmethyl)pyrrolidine-3-carboxylic acid
CID 103719549
tert-butyl 3-benzylpyrrolidine-3-carboxylate
CID 156631335
4-[(3,5-difluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 45074210
tert-butyl 4-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxylate
CID 59367830
tert-butyl (3R)-1-amino-3-(hydroxymethyl)pyrrolidine-3-carboxylate
CID 97041552
tert-butyl 1-[[3-(benzylamino)phenyl]methyl]cyclopropane-1-carboxylate
CID 58136299

Frequently Asked Questions

What is the IUPAC name of 4-[(4-carbamoylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(4-carbamoylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid (CID 67384770) is 4-[(4-carbamoylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(4-carbamoylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(4-carbamoylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid is CC(C)(C)OC(=O)C1(Cc2ccc(C(N)=O)cc2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(4-carbamoylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid?
The InChIKey is PCTLBCWOBQSXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-18(2,3)26-16(23)19(8-10-21(11-9-19)17(24)25)12-13-4-6-14(7-5-13)15(20)22/h4-7H,8-12H2,1-3H3,(H2,20,22)(H,24,25).
What are the key properties of 4-[(4-carbamoylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid?
4-[(4-carbamoylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbamoylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67384770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).