(2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid

C14H25N3O3 — CID 61407896

IUPAC(2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCCN(C(=O)N1CCC[C@H]1C(=O)O)C1CCNCC1
InChIInChI=1S/C14H25N3O3/c1-2-9-16(11-5-7-15-8-6-11)14(20)17-10-3-4-12(17)13(18)19/h11-12,15H,2-10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyXLICIXAUOCRMJC-LBPRGKRZSA-N
MW283.37 g/mol
LogP1.12
Rot. Bonds4

About (2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61407896) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61407896
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name(2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCCN(C(=O)N1CCC[C@H]1C(=O)O)C1CCNCC1
InChIInChI=1S/C14H25N3O3/c1-2-9-16(11-5-7-15-8-6-11)14(20)17-10-3-4-12(17)13(18)19/h11-12,15H,2-10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyXLICIXAUOCRMJC-LBPRGKRZSA-N
XLogP1.12
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 54995466
N-piperidin-4-yl-N-propylazepane-1-carboxamide
CID 79152738
(2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195285
1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid
CID 78974429
(2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61443079
(2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 90268843
1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197967
(2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922691
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-2-carboxylic acid
CID 102865081
(2S)-1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55009567
(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55226778
4-[piperidin-4-yl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782800

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61407896) is (2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid is CCCN(C(=O)N1CCC[C@H]1C(=O)O)C1CCNCC1.
What is the InChIKey of (2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XLICIXAUOCRMJC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-9-16(11-5-7-15-8-6-11)14(20)17-10-3-4-12(17)13(18)19/h11-12,15H,2-10H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61407896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).