N-but-3-enyl-N-methyl-1-propylpiperidine-3-carboxamide

C14H26N2O — CID 89024012

IUPACN-but-3-enyl-N-methyl-1-propylpiperidine-3-carboxamide
SMILESC=CCCN(C)C(=O)C1CCCN(CCC)C1
InChIInChI=1S/C14H26N2O/c1-4-6-10-15(3)14(17)13-8-7-11-16(12-13)9-5-2/h4,13H,1,5-12H2,2-3H3
InChIKeyCKYLDNXNSNLLGY-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.14
Rot. Bonds6

About N-but-3-enyl-N-methyl-1-propylpiperidine-3-carboxamide

N-but-3-enyl-N-methyl-1-propylpiperidine-3-carboxamide (PubChem CID 89024012) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-but-3-enyl-N-methyl-1-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-but-3-enyl-N-methyl-1-propylpiperidine-3-carboxamide
PubChem CID89024012
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-but-3-enyl-N-methyl-1-propylpiperidine-3-carboxamide
SMILESC=CCCN(C)C(=O)C1CCCN(CCC)C1
InChIInChI=1S/C14H26N2O/c1-4-6-10-15(3)14(17)13-8-7-11-16(12-13)9-5-2/h4,13H,1,5-12H2,2-3H3
InChIKeyCKYLDNXNSNLLGY-UHFFFAOYSA-N
XLogP2.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N-methyl-1-propylpiperidine-3-carboxamide
CID 59535798
1-decyl-N-ethyl-N-methylpiperidine-3-carboxamide
CID 90679730
N,1-dimethyl-N-octylpiperidine-3-carboxamide
CID 14306886
1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 56526123
N-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 10257104
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide
CID 110931950
N-(2-hydroxyethyl)-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 110900000
3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 110837310
propan-2-yl 1-propylpiperidine-3-carboxylate
CID 83982857
phenyl-(1-propylpiperidin-3-yl)methanone
CID 91406553
1-[2-(2-methoxyethoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 75424732

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-N-methyl-1-propylpiperidine-3-carboxamide?
The IUPAC name of N-but-3-enyl-N-methyl-1-propylpiperidine-3-carboxamide (CID 89024012) is N-but-3-enyl-N-methyl-1-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-but-3-enyl-N-methyl-1-propylpiperidine-3-carboxamide?
The canonical SMILES for N-but-3-enyl-N-methyl-1-propylpiperidine-3-carboxamide is C=CCCN(C)C(=O)C1CCCN(CCC)C1.
What is the InChIKey of N-but-3-enyl-N-methyl-1-propylpiperidine-3-carboxamide?
The InChIKey is CKYLDNXNSNLLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-6-10-15(3)14(17)13-8-7-11-16(12-13)9-5-2/h4,13H,1,5-12H2,2-3H3.
What are the key properties of N-but-3-enyl-N-methyl-1-propylpiperidine-3-carboxamide?
N-but-3-enyl-N-methyl-1-propylpiperidine-3-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-N-methyl-1-propylpiperidine-3-carboxamide is sourced from PubChem (CID 89024012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).