N-(1-propanoylpiperidin-4-yl)formamide

C9H16N2O2 — CID 87856562

IUPACN-(1-propanoylpiperidin-4-yl)formamide
SMILESCCC(=O)N1CCC(NC=O)CC1
InChIInChI=1S/C9H16N2O2/c1-2-9(13)11-5-3-8(4-6-11)10-7-12/h7-8H,2-6H2,1H3,(H,10,12)
InChIKeyJPVHLBCNKCVQLU-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.13
Rot. Bonds3

About N-(1-propanoylpiperidin-4-yl)formamide

N-(1-propanoylpiperidin-4-yl)formamide (PubChem CID 87856562) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(1-propanoylpiperidin-4-yl)formamide.

Molecular Properties

Compound NameN-(1-propanoylpiperidin-4-yl)formamide
PubChem CID87856562
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(1-propanoylpiperidin-4-yl)formamide
SMILESCCC(=O)N1CCC(NC=O)CC1
InChIInChI=1S/C9H16N2O2/c1-2-9(13)11-5-3-8(4-6-11)10-7-12/h7-8H,2-6H2,1H3,(H,10,12)
InChIKeyJPVHLBCNKCVQLU-UHFFFAOYSA-N
XLogP0.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.13
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-(3-methylbutanoyl)piperidin-4-yl]formamide
CID 130209713
1-[4-(ethylamino)piperidin-1-yl]propan-1-one
CID 60818400
N-[1-(5-methoxypentanoyl)piperidin-4-yl]formamide
CID 155599544
2-methyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 60769090
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
1-[4-(but-2-ynylamino)piperidin-1-yl]propan-1-one
CID 115866481
1-(4-iodopiperidin-1-yl)propan-1-one
CID 126745875
ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 145216334
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090
1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one
CID 58975937
N-(1-pentylpiperidin-4-yl)formamide
CID 174935112
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957

Frequently Asked Questions

What is the IUPAC name of N-(1-propanoylpiperidin-4-yl)formamide?
The IUPAC name of N-(1-propanoylpiperidin-4-yl)formamide (CID 87856562) is N-(1-propanoylpiperidin-4-yl)formamide.
What is the SMILES notation for N-(1-propanoylpiperidin-4-yl)formamide?
The canonical SMILES for N-(1-propanoylpiperidin-4-yl)formamide is CCC(=O)N1CCC(NC=O)CC1.
What is the InChIKey of N-(1-propanoylpiperidin-4-yl)formamide?
The InChIKey is JPVHLBCNKCVQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-9(13)11-5-3-8(4-6-11)10-7-12/h7-8H,2-6H2,1H3,(H,10,12).
What are the key properties of N-(1-propanoylpiperidin-4-yl)formamide?
N-(1-propanoylpiperidin-4-yl)formamide has a molecular weight of 184.24 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propanoylpiperidin-4-yl)formamide is sourced from PubChem (CID 87856562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).