1-propyl-N-(1-pyridin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide

C18H28N4O — CID 86844344

IUPAC1-propyl-N-(1-pyridin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide
SMILESCCCN1CCCC1C(=O)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H28N4O/c1-2-11-21-12-5-6-16(21)18(23)20-15-8-13-22(14-9-15)17-7-3-4-10-19-17/h3-4,7,10,15-16H,2,5-6,8-9,11-14H2,1H3,(H,20,23)
InChIKeyDDRHQRZANXYTNJ-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.04
Rot. Bonds5

About 1-propyl-N-(1-pyridin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide

1-propyl-N-(1-pyridin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 86844344) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-propyl-N-(1-pyridin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-propyl-N-(1-pyridin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID86844344
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name1-propyl-N-(1-pyridin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide
SMILESCCCN1CCCC1C(=O)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H28N4O/c1-2-11-21-12-5-6-16(21)18(23)20-15-8-13-22(14-9-15)17-7-3-4-10-19-17/h3-4,7,10,15-16H,2,5-6,8-9,11-14H2,1H3,(H,20,23)
InChIKeyDDRHQRZANXYTNJ-UHFFFAOYSA-N
XLogP2.04
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-pyridin-2-ylpyrrolidine-2-carboxamide
CID 91662065
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
(3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 94824323
2-amino-N-(1-pyridin-2-ylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 64823326
1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94148159
N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42961571
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 56826840
N-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide
CID 11572624
N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119854534
2-(cyclopropylmethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 60867246
2-(2,5-dimethoxyphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 78876192

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(1-pyridin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-propyl-N-(1-pyridin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide (CID 86844344) is 1-propyl-N-(1-pyridin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-propyl-N-(1-pyridin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-propyl-N-(1-pyridin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide is CCCN1CCCC1C(=O)NC1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-propyl-N-(1-pyridin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is DDRHQRZANXYTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-2-11-21-12-5-6-16(21)18(23)20-15-8-13-22(14-9-15)17-7-3-4-10-19-17/h3-4,7,10,15-16H,2,5-6,8-9,11-14H2,1H3,(H,20,23).
What are the key properties of 1-propyl-N-(1-pyridin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide?
1-propyl-N-(1-pyridin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(1-pyridin-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 86844344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).