4-[2-(phenylmethoxycarbonylamino)pent-4-en-2-yl]piperidine-1-carboxylic acid

C19H26N2O4 — CID 166757570

IUPAC4-[2-(phenylmethoxycarbonylamino)pent-4-en-2-yl]piperidine-1-carboxylic acid
SMILESC=CCC(C)(NC(=O)OCc1ccccc1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C19H26N2O4/c1-3-11-19(2,16-9-12-21(13-10-16)18(23)24)20-17(22)25-14-15-7-5-4-6-8-15/h3-8,16H,1,9-14H2,2H3,(H,20,22)(H,23,24)
InChIKeySZYWDINCTMFQFJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.64
Rot. Bonds6

About 4-[2-(phenylmethoxycarbonylamino)pent-4-en-2-yl]piperidine-1-carboxylic acid

4-[2-(phenylmethoxycarbonylamino)pent-4-en-2-yl]piperidine-1-carboxylic acid (PubChem CID 166757570) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[2-(phenylmethoxycarbonylamino)pent-4-en-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(phenylmethoxycarbonylamino)pent-4-en-2-yl]piperidine-1-carboxylic acid
PubChem CID166757570
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name4-[2-(phenylmethoxycarbonylamino)pent-4-en-2-yl]piperidine-1-carboxylic acid
SMILESC=CCC(C)(NC(=O)OCc1ccccc1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C19H26N2O4/c1-3-11-19(2,16-9-12-21(13-10-16)18(23)24)20-17(22)25-14-15-7-5-4-6-8-15/h3-8,16H,1,9-14H2,2H3,(H,20,22)(H,23,24)
InChIKeySZYWDINCTMFQFJ-UHFFFAOYSA-N
XLogP3.64
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(2-piperidin-4-ylpropan-2-yl)carbamate;tert-butyl 4-[2-(phenylmethoxycarbonylamino)propan-2-yl]piperidine-1-carboxylate
CID 157460194
methyl (2S)-2-benzyl-2-(phenylmethoxycarbonylamino)pent-4-enoate
CID 18648848
4-[[(2R)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]amino]piperidine-1-carboxylic acid
CID 141360065
(3R,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid
CID 91321164
(2R)-2-ethoxycarbonyl-2-(phenylmethoxycarbonylamino)pent-4-enoic acid
CID 11823394
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 14555478
benzyl 4-(2-methylbutan-2-yloxycarbonylamino)piperidine-1-carboxylate
CID 67159227
benzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
CID 10549065
4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 139534540
benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate
CID 177118557
4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid
CID 18536514
benzyl N-[2-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 138750839

Frequently Asked Questions

What is the IUPAC name of 4-[2-(phenylmethoxycarbonylamino)pent-4-en-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-(phenylmethoxycarbonylamino)pent-4-en-2-yl]piperidine-1-carboxylic acid (CID 166757570) is 4-[2-(phenylmethoxycarbonylamino)pent-4-en-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(phenylmethoxycarbonylamino)pent-4-en-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-(phenylmethoxycarbonylamino)pent-4-en-2-yl]piperidine-1-carboxylic acid is C=CCC(C)(NC(=O)OCc1ccccc1)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[2-(phenylmethoxycarbonylamino)pent-4-en-2-yl]piperidine-1-carboxylic acid?
The InChIKey is SZYWDINCTMFQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-3-11-19(2,16-9-12-21(13-10-16)18(23)24)20-17(22)25-14-15-7-5-4-6-8-15/h3-8,16H,1,9-14H2,2H3,(H,20,22)(H,23,24).
What are the key properties of 4-[2-(phenylmethoxycarbonylamino)pent-4-en-2-yl]piperidine-1-carboxylic acid?
4-[2-(phenylmethoxycarbonylamino)pent-4-en-2-yl]piperidine-1-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(phenylmethoxycarbonylamino)pent-4-en-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 166757570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).