N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-ylpropanamide

C16H28N2O — CID 63682104

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)NCC1CC2CCC1C2
InChIInChI=1S/C16H28N2O/c19-16(4-2-12-5-7-17-8-6-12)18-11-15-10-13-1-3-14(15)9-13/h12-15,17H,1-11H2,(H,18,19)
InChIKeyCGDQUUVLSSYOED-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.32
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-ylpropanamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-ylpropanamide (PubChem CID 63682104) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-ylpropanamide
PubChem CID63682104
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)NCC1CC2CCC1C2
InChIInChI=1S/C16H28N2O/c19-16(4-2-12-5-7-17-8-6-12)18-11-15-10-13-1-3-14(15)9-13/h12-15,17H,1-11H2,(H,18,19)
InChIKeyCGDQUUVLSSYOED-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-yloxypropanamide
CID 63904900
2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 80564596
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-oxobutanamide
CID 98153784
4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65299667
N-(2-cyclobutylethyl)-3-piperidin-4-ylpropanamide
CID 115870643
2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid
CID 62210241
2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-oxoethoxy]acetic acid
CID 63683448
N-(3-aminopropyl)-3-piperidin-4-ylpropanamide
CID 62211796
N-[2-(cyclopropylamino)-2-oxoethyl]-3-piperidin-4-ylpropanamide
CID 55049712
N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide
CID 106841935
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-ethylurea
CID 27276337
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-[4-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylcarbamoylamino]butyl]urea
CID 124546515

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-ylpropanamide (CID 63682104) is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-ylpropanamide is O=C(CCC1CCNCC1)NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-ylpropanamide?
The InChIKey is CGDQUUVLSSYOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c19-16(4-2-12-5-7-17-8-6-12)18-11-15-10-13-1-3-14(15)9-13/h12-15,17H,1-11H2,(H,18,19).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-ylpropanamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-ylpropanamide has a molecular weight of 264.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 63682104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).