N-(piperidin-3-ylmethyl)-N-propylbicyclo[4.1.0]heptane-7-carboxamide

C17H30N2O — CID 106628333

IUPACN-(piperidin-3-ylmethyl)-N-propylbicyclo[4.1.0]heptane-7-carboxamide
SMILESCCCN(CC1CCCNC1)C(=O)C1C2CCCCC21
InChIInChI=1S/C17H30N2O/c1-2-10-19(12-13-6-5-9-18-11-13)17(20)16-14-7-3-4-8-15(14)16/h13-16,18H,2-12H2,1H3
InChIKeyRWSAZHBNHSRBJF-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.66
Rot. Bonds5

About N-(piperidin-3-ylmethyl)-N-propylbicyclo[4.1.0]heptane-7-carboxamide

N-(piperidin-3-ylmethyl)-N-propylbicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 106628333) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-propylbicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-propylbicyclo[4.1.0]heptane-7-carboxamide
PubChem CID106628333
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-(piperidin-3-ylmethyl)-N-propylbicyclo[4.1.0]heptane-7-carboxamide
SMILESCCCN(CC1CCCNC1)C(=O)C1C2CCCCC21
InChIInChI=1S/C17H30N2O/c1-2-10-19(12-13-6-5-9-18-11-13)17(20)16-14-7-3-4-8-15(14)16/h13-16,18H,2-12H2,1H3
InChIKeyRWSAZHBNHSRBJF-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-3-ylmethyl)-N-propylcyclopropanecarboxamide
CID 106628435
N-(cyclohexylmethyl)-N-propylpiperidine-3-carboxamide
CID 119302238
ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate
CID 106630010
1-methyl-N-(piperidin-3-ylmethyl)-N-propylcyclopentane-1-carboxamide
CID 106628384
N-(piperidin-3-ylmethyl)-N-propyloctanamide
CID 106628397
3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea
CID 106630009
2-[(2-methylpropan-2-yl)oxy]-N-(piperidin-3-ylmethyl)-N-propylacetamide
CID 106628164
5-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106628225
2-(oxolan-2-yl)-N-(piperidin-3-ylmethyl)-N-propylacetamide
CID 106628324
N-ethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106629408
N-(piperidin-3-ylmethyl)-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
CID 106628190
2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628169

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-propylbicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-propylbicyclo[4.1.0]heptane-7-carboxamide (CID 106628333) is N-(piperidin-3-ylmethyl)-N-propylbicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-propylbicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-propylbicyclo[4.1.0]heptane-7-carboxamide is CCCN(CC1CCCNC1)C(=O)C1C2CCCCC21.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-propylbicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is RWSAZHBNHSRBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-2-10-19(12-13-6-5-9-18-11-13)17(20)16-14-7-3-4-8-15(14)16/h13-16,18H,2-12H2,1H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-propylbicyclo[4.1.0]heptane-7-carboxamide?
N-(piperidin-3-ylmethyl)-N-propylbicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 278.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-propylbicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 106628333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).