4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid

C19H25N3O5 — CID 139534540

IUPAC4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CC1
InChIInChI=1S/C19H25N3O5/c23-17(20-10-12-21(13-11-20)18(24)25)16-6-8-22(9-7-16)19(26)27-14-15-4-2-1-3-5-15/h1-5,16H,6-14H2,(H,24,25)
InChIKeyQCKJKWQTQCFVNT-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.86
Rot. Bonds3

About 4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid

4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid (PubChem CID 139534540) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
PubChem CID139534540
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CC1
InChIInChI=1S/C19H25N3O5/c23-17(20-10-12-21(13-11-20)18(24)25)16-6-8-22(9-7-16)19(26)27-14-15-4-2-1-3-5-15/h1-5,16H,6-14H2,(H,24,25)
InChIKeyQCKJKWQTQCFVNT-UHFFFAOYSA-N
XLogP1.86
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(3-fluoropiperidine-1-carbonyl)piperidine-1-carboxylate
CID 169044811
tert-butyl 4-(1-phenylmethoxycarbonylpyrrolidine-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 54491210
benzyl 4-(2-aminoacetyl)azepane-1-carboxylate
CID 115006849
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 69063371
benzyl 4-ethynylpiperidine-1-carboxylate
CID 126797046
benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate
CID 27281872
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate
CID 171405341

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid (CID 139534540) is 4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid is O=C(O)N1CCN(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CC1.
What is the InChIKey of 4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid?
The InChIKey is QCKJKWQTQCFVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c23-17(20-10-12-21(13-11-20)18(24)25)16-6-8-22(9-7-16)19(26)27-14-15-4-2-1-3-5-15/h1-5,16H,6-14H2,(H,24,25).
What are the key properties of 4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid?
4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid has a molecular weight of 375.43 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 139534540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).