N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide

C17H27N3O — CID 106628102

IUPACN-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide
SMILESCCCN(CC1CCCNC1)C(=O)CCc1ccccn1
InChIInChI=1S/C17H27N3O/c1-2-12-20(14-15-6-5-10-18-13-15)17(21)9-8-16-7-3-4-11-19-16/h3-4,7,11,15,18H,2,5-6,8-10,12-14H2,1H3
InChIKeyCVRPXHSQAXCQTE-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.25
Rot. Bonds7

About N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide

N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide (PubChem CID 106628102) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide
PubChem CID106628102
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide
SMILESCCCN(CC1CCCNC1)C(=O)CCc1ccccn1
InChIInChI=1S/C17H27N3O/c1-2-12-20(14-15-6-5-10-18-13-15)17(21)9-8-16-7-3-4-11-19-16/h3-4,7,11,15,18H,2,5-6,8-10,12-14H2,1H3
InChIKeyCVRPXHSQAXCQTE-UHFFFAOYSA-N
XLogP2.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-4-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 114290026
N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-3-ylpropanamide
CID 106628128
N-(piperidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 106640814
N-methyl-2-piperidin-3-yl-N-(pyridin-2-ylmethyl)acetamide
CID 55105100
N-ethyl-3-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106608852
N-(piperidin-3-ylmethyl)-N-propyloctanamide
CID 106628397
2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid
CID 114289646
2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628436
3-phenyl-N-(piperidin-3-ylmethyl)-N-propylprop-2-ynamide
CID 106628072
6-methyl-N-(piperidin-3-ylmethyl)-N-propylpyridine-2-carboxamide
CID 106628314
ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate
CID 106630010
3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide
CID 79701291

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide (CID 106628102) is N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide is CCCN(CC1CCCNC1)C(=O)CCc1ccccn1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide?
The InChIKey is CVRPXHSQAXCQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-12-20(14-15-6-5-10-18-13-15)17(21)9-8-16-7-3-4-11-19-16/h3-4,7,11,15,18H,2,5-6,8-10,12-14H2,1H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide?
N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 106628102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).