1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide

C11H19N3O2 — CID 7175999

IUPAC1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)[C@@H]2CCCN2)CC1
InChIInChI=1S/C11H19N3O2/c12-10(15)8-3-6-14(7-4-8)11(16)9-2-1-5-13-9/h8-9,13H,1-7H2,(H2,12,15)/t9-/m0/s1
InChIKeyNNMBNSDUKXMRKT-VIFPVBQESA-N
MW225.29 g/mol
LogP-0.54
Rot. Bonds2

About 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide

1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide (PubChem CID 7175999) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
PubChem CID7175999
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)[C@@H]2CCCN2)CC1
InChIInChI=1S/C11H19N3O2/c12-10(15)8-3-6-14(7-4-8)11(16)9-2-1-5-13-9/h8-9,13H,1-7H2,(H2,12,15)/t9-/m0/s1
InChIKeyNNMBNSDUKXMRKT-VIFPVBQESA-N
XLogP-0.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(4-aminopiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 131224010
(4-aminopiperidin-1-yl)-pyrrolidin-2-ylmethanone
CID 110461351
2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
CID 54873089
cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 71888790
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
[4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 71084950
1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 10081902
(4-aminopiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 154266528
pyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone
CID 3095254
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide (CID 7175999) is 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)[C@@H]2CCCN2)CC1.
What is the InChIKey of 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is NNMBNSDUKXMRKT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O2/c12-10(15)8-3-6-14(7-4-8)11(16)9-2-1-5-13-9/h8-9,13H,1-7H2,(H2,12,15)/t9-/m0/s1.
What are the key properties of 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide?
1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 225.29 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 7175999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).