phenyl 4-(1-prop-2-enoylpiperidine-4-carbonyl)piperazine-1-carboxylate

C20H25N3O4 — CID 166411037

IUPACphenyl 4-(1-prop-2-enoylpiperidine-4-carbonyl)piperazine-1-carboxylate
SMILESC=CC(=O)N1CCC(C(=O)N2CCN(C(=O)Oc3ccccc3)CC2)CC1
InChIInChI=1S/C20H25N3O4/c1-2-18(24)21-10-8-16(9-11-21)19(25)22-12-14-23(15-13-22)20(26)27-17-6-4-3-5-7-17/h2-7,16H,1,8-15H2
InChIKeyUVSMZKMYVJHKNC-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.75
Rot. Bonds3

About phenyl 4-(1-prop-2-enoylpiperidine-4-carbonyl)piperazine-1-carboxylate

phenyl 4-(1-prop-2-enoylpiperidine-4-carbonyl)piperazine-1-carboxylate (PubChem CID 166411037) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is phenyl 4-(1-prop-2-enoylpiperidine-4-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(1-prop-2-enoylpiperidine-4-carbonyl)piperazine-1-carboxylate
PubChem CID166411037
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Namephenyl 4-(1-prop-2-enoylpiperidine-4-carbonyl)piperazine-1-carboxylate
SMILESC=CC(=O)N1CCC(C(=O)N2CCN(C(=O)Oc3ccccc3)CC2)CC1
InChIInChI=1S/C20H25N3O4/c1-2-18(24)21-10-8-16(9-11-21)19(25)22-12-14-23(15-13-22)20(26)27-17-6-4-3-5-7-17/h2-7,16H,1,8-15H2
InChIKeyUVSMZKMYVJHKNC-UHFFFAOYSA-N
XLogP1.75
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 141023786
phenyl 4-(cyclobutanecarbonyl)-1,4-diazepane-1-carboxylate
CID 110799294
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
1-[4-[4-[2-(2-chlorophenyl)acetyl]piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166412778
phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
CID 60725156
phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
CID 110397090
4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
CID 3851418
phenyl 4-cyanopiperidine-1-carboxylate
CID 62077915
4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 139534540
phenyl 4-(ethylcarbamoyl)piperidine-1-carboxylate
CID 60746156
1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166405547
1-[4-(3-ethyl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 166411061

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(1-prop-2-enoylpiperidine-4-carbonyl)piperazine-1-carboxylate?
The IUPAC name of phenyl 4-(1-prop-2-enoylpiperidine-4-carbonyl)piperazine-1-carboxylate (CID 166411037) is phenyl 4-(1-prop-2-enoylpiperidine-4-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-(1-prop-2-enoylpiperidine-4-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-(1-prop-2-enoylpiperidine-4-carbonyl)piperazine-1-carboxylate is C=CC(=O)N1CCC(C(=O)N2CCN(C(=O)Oc3ccccc3)CC2)CC1.
What is the InChIKey of phenyl 4-(1-prop-2-enoylpiperidine-4-carbonyl)piperazine-1-carboxylate?
The InChIKey is UVSMZKMYVJHKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-2-18(24)21-10-8-16(9-11-21)19(25)22-12-14-23(15-13-22)20(26)27-17-6-4-3-5-7-17/h2-7,16H,1,8-15H2.
What are the key properties of phenyl 4-(1-prop-2-enoylpiperidine-4-carbonyl)piperazine-1-carboxylate?
phenyl 4-(1-prop-2-enoylpiperidine-4-carbonyl)piperazine-1-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(1-prop-2-enoylpiperidine-4-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 166411037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).