N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide

C11H20N2O2 — CID 130209713

IUPACN-[1-(3-methylbutanoyl)piperidin-4-yl]formamide
SMILESCC(C)CC(=O)N1CCC(NC=O)CC1
InChIInChI=1S/C11H20N2O2/c1-9(2)7-11(15)13-5-3-10(4-6-13)12-8-14/h8-10H,3-7H2,1-2H3,(H,12,14)
InChIKeyWRLYXFVDQTWBFZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.77
Rot. Bonds4

About N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide

N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide (PubChem CID 130209713) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide.

Molecular Properties

Compound NameN-[1-(3-methylbutanoyl)piperidin-4-yl]formamide
PubChem CID130209713
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[1-(3-methylbutanoyl)piperidin-4-yl]formamide
SMILESCC(C)CC(=O)N1CCC(NC=O)CC1
InChIInChI=1S/C11H20N2O2/c1-9(2)7-11(15)13-5-3-10(4-6-13)12-8-14/h8-10H,3-7H2,1-2H3,(H,12,14)
InChIKeyWRLYXFVDQTWBFZ-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-propanoylpiperidin-4-yl)formamide
CID 87856562
N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide
CID 122156176
1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 28706724
3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide
CID 110819637
N-[1-(5-methoxypentanoyl)piperidin-4-yl]formamide
CID 155599544
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642
3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 54408346
1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 70657702
1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119307388
2-[[1-(3-methylbutanoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119182817
3-methyl-1-[4-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]butan-1-one
CID 138667582
1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 178000194

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide?
The IUPAC name of N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide (CID 130209713) is N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide.
What is the SMILES notation for N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide?
The canonical SMILES for N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide is CC(C)CC(=O)N1CCC(NC=O)CC1.
What is the InChIKey of N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide?
The InChIKey is WRLYXFVDQTWBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(2)7-11(15)13-5-3-10(4-6-13)12-8-14/h8-10H,3-7H2,1-2H3,(H,12,14).
What are the key properties of N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide?
N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide has a molecular weight of 212.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide is sourced from PubChem (CID 130209713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).