N-[(2R)-1-methoxybut-3-en-2-yl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide

C15H24N4O2 — CID 164639555

IUPACN-[(2R)-1-methoxybut-3-en-2-yl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide
SMILESC=C[C@H](COC)NC(=O)N1CCC(c2cncn2C)CC1
InChIInChI=1S/C15H24N4O2/c1-4-13(10-21-3)17-15(20)19-7-5-12(6-8-19)14-9-16-11-18(14)2/h4,9,11-13H,1,5-8,10H2,2-3H3,(H,17,20)/t13-/m1/s1
InChIKeyNSGIOGNBUWVPIZ-CYBMUJFWSA-N
MW292.38 g/mol
LogP1.51
Rot. Bonds5

About N-[(2R)-1-methoxybut-3-en-2-yl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide

N-[(2R)-1-methoxybut-3-en-2-yl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide (PubChem CID 164639555) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(2R)-1-methoxybut-3-en-2-yl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-methoxybut-3-en-2-yl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide
PubChem CID164639555
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[(2R)-1-methoxybut-3-en-2-yl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide
SMILESC=C[C@H](COC)NC(=O)N1CCC(c2cncn2C)CC1
InChIInChI=1S/C15H24N4O2/c1-4-13(10-21-3)17-15(20)19-7-5-12(6-8-19)14-9-16-11-18(14)2/h4,9,11-13H,1,5-8,10H2,2-3H3,(H,17,20)/t13-/m1/s1
InChIKeyNSGIOGNBUWVPIZ-CYBMUJFWSA-N
XLogP1.51
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxybut-3-en-2-yl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(2R)-1-methoxybut-3-en-2-yl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide (CID 164639555) is N-[(2R)-1-methoxybut-3-en-2-yl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-methoxybut-3-en-2-yl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2R)-1-methoxybut-3-en-2-yl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide is C=C[C@H](COC)NC(=O)N1CCC(c2cncn2C)CC1.
What is the InChIKey of N-[(2R)-1-methoxybut-3-en-2-yl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide?
The InChIKey is NSGIOGNBUWVPIZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-13(10-21-3)17-15(20)19-7-5-12(6-8-19)14-9-16-11-18(14)2/h4,9,11-13H,1,5-8,10H2,2-3H3,(H,17,20)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-methoxybut-3-en-2-yl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide?
N-[(2R)-1-methoxybut-3-en-2-yl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxybut-3-en-2-yl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 164639555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).