N-(pyrrolidin-3-ylmethyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

C13H22F3N3O3 — CID 172756874

IUPACN-(pyrrolidin-3-ylmethyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1CCNC1)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H21N3O.C2HF3O2/c15-11(10-2-5-12-6-3-10)14-8-9-1-4-13-7-9;3-2(4,5)1(6)7/h9-10,12-13H,1-8H2,(H,14,15);(H,6,7)
InChIKeyLDIZHDBAKITMJC-UHFFFAOYSA-N
MW325.33 g/mol
LogP0.34
Rot. Bonds3

About N-(pyrrolidin-3-ylmethyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

N-(pyrrolidin-3-ylmethyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 172756874) has the molecular formula C13H22F3N3O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-(pyrrolidin-3-ylmethyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(pyrrolidin-3-ylmethyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID172756874
Molecular FormulaC13H22F3N3O3
Molecular Weight325.33 g/mol
Exact Mass325.16
IUPAC NameN-(pyrrolidin-3-ylmethyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1CCNC1)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H21N3O.C2HF3O2/c15-11(10-2-5-12-6-3-10)14-8-9-1-4-13-7-9;3-2(4,5)1(6)7/h9-10,12-13H,1-8H2,(H,14,15);(H,6,7)
InChIKeyLDIZHDBAKITMJC-UHFFFAOYSA-N
XLogP0.34
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(pyrrolidin-3-ylmethyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Pyrrolidin-3-yl)acetamide trifluoroacetate
CID 122164295
(4R)-4-(aminomethyl)pyrrolidin-2-one, trifluoroacetic acid
CID 170911342
N-cyclopentylpiperidin-1-ium-4-carboxamide;2,2,2-trifluoroacetate
CID 67032239
N-butylpiperidin-1-ium-4-carboxamide;2,2,2-trifluoroacetate
CID 67032394
(4,4-Difluoropiperidin-1-yl)(pyrrolidin-3-yl)methanone
CID 67293784
(3,3-Difluoropiperidin-1-yl)(pyrrolidin-3-yl)methanone
CID 67293918
(3,3-difluoropiperidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 67295384
(3,3-difluoropiperidin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 67295433
n-Methyl-n-piperidin-4-ylmethyl-acetamide trifluoroacetate
CID 68476071
Piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68619388
1-(2-Pyrrolidin-3-ylethyl)piperidine;2,2,2-trifluoroacetic acid
CID 69116255
Piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 87542709

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-3-ylmethyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(pyrrolidin-3-ylmethyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 172756874) is N-(pyrrolidin-3-ylmethyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(pyrrolidin-3-ylmethyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(pyrrolidin-3-ylmethyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCC1CCNC1)C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(pyrrolidin-3-ylmethyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is LDIZHDBAKITMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.C2HF3O2/c15-11(10-2-5-12-6-3-10)14-8-9-1-4-13-7-9;3-2(4,5)1(6)7/h9-10,12-13H,1-8H2,(H,14,15);(H,6,7).
What are the key properties of N-(pyrrolidin-3-ylmethyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
N-(pyrrolidin-3-ylmethyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 325.33 g/mol, XLogP of 0.34, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-3-ylmethyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172756874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).