(2S)-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide

C13H25N3O — CID 61165549

IUPAC(2S)-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
SMILESCC(CNC(=O)[C@@H]1CCCN1)N1CCCCC1
InChIInChI=1S/C13H25N3O/c1-11(16-8-3-2-4-9-16)10-15-13(17)12-6-5-7-14-12/h11-12,14H,2-10H2,1H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyFTHUADGWMBLXDA-KIYNQFGBSA-N
MW239.36 g/mol
LogP0.73
Rot. Bonds4

About (2S)-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide

(2S)-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide (PubChem CID 61165549) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2S)-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
PubChem CID61165549
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2S)-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
SMILESCC(CNC(=O)[C@@H]1CCCN1)N1CCCCC1
InChIInChI=1S/C13H25N3O/c1-11(16-8-3-2-4-9-16)10-15-13(17)12-6-5-7-14-12/h11-12,14H,2-10H2,1H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyFTHUADGWMBLXDA-KIYNQFGBSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide
CID 61273549
N-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide
CID 82917775
N-(2-methyl-3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 54906567
(2S)-N-(2-methyl-3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 61165570
N-(2,3-dimethylbutyl)pyrrolidine-2-carboxamide
CID 64597278
(2R)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-2-carboxamide
CID 103814027
N-(2-cyclopropylpropyl)pyrrolidine-2-carboxamide
CID 115591240
N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115976802
N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride
CID 119857772
(2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide
CID 148575646
N-(2-cyclopropylpropyl)azocane-2-carboxamide
CID 114240217
N-(2-methoxypropyl)azepane-2-carboxamide
CID 102694927

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide (CID 61165549) is (2S)-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide is CC(CNC(=O)[C@@H]1CCCN1)N1CCCCC1.
What is the InChIKey of (2S)-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is FTHUADGWMBLXDA-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(16-8-3-2-4-9-16)10-15-13(17)12-6-5-7-14-12/h11-12,14H,2-10H2,1H3,(H,15,17)/t11?,12-/m0/s1.
What are the key properties of (2S)-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide?
(2S)-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61165549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).