4-carbamoyl-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxylic acid

C10H16F3N3O3 — CID 66697802

IUPAC4-carbamoyl-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxylic acid
SMILESNC(=O)C1(NCCC(F)(F)F)CCN(C(=O)O)CC1
InChIInChI=1S/C10H16F3N3O3/c11-10(12,13)1-4-15-9(7(14)17)2-5-16(6-3-9)8(18)19/h15H,1-6H2,(H2,14,17)(H,18,19)
InChIKeyVFTQYHQSBZMDRI-UHFFFAOYSA-N
MW283.25 g/mol
LogP0.53
Rot. Bonds4

About 4-carbamoyl-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxylic acid

4-carbamoyl-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxylic acid (PubChem CID 66697802) has the molecular formula C10H16F3N3O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is 4-carbamoyl-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-carbamoyl-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxylic acid
PubChem CID66697802
Molecular FormulaC10H16F3N3O3
Molecular Weight283.25 g/mol
Exact Mass283.11
IUPAC Name4-carbamoyl-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxylic acid
SMILESNC(=O)C1(NCCC(F)(F)F)CCN(C(=O)O)CC1
InChIInChI=1S/C10H16F3N3O3/c11-10(12,13)1-4-15-9(7(14)17)2-5-16(6-3-9)8(18)19/h15H,1-6H2,(H2,14,17)(H,18,19)
InChIKeyVFTQYHQSBZMDRI-UHFFFAOYSA-N
XLogP0.53
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide
CID 29439803
4-[(2,2,2-Trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
CID 18449277
4-(Aminomethyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
CID 18449285
1-Methyl-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide
CID 58319335
1-Methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide
CID 58367579
4-(3,3,3-Trifluoropropylamino)piperidine-4-carboxamide
CID 66697754
(3R)-2-tert-butyl-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylic acid
CID 67464232
1-Methyl-4-(1,1,1-trifluoropropan-2-ylamino)piperidine-4-carboxamide
CID 70952117
tert-Butyl 4-carbamoyl-4-[(3,3,3-trifluoropropyl)amino]piperidine-1-carboxylate
CID 86656052
2,4-Diamino-1-piperidin-1-ylbutan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 88046716
Dab-Pip Bis-TFA salt
CID 88047293
[1-(4,4-Difluoropiperidine-1-carbonyl)cyclopropyl]carbamic acid
CID 134519494

Frequently Asked Questions

What is the IUPAC name of 4-carbamoyl-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxylic acid?
The IUPAC name of 4-carbamoyl-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxylic acid (CID 66697802) is 4-carbamoyl-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-carbamoyl-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxylic acid?
The canonical SMILES for 4-carbamoyl-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxylic acid is NC(=O)C1(NCCC(F)(F)F)CCN(C(=O)O)CC1.
What is the InChIKey of 4-carbamoyl-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxylic acid?
The InChIKey is VFTQYHQSBZMDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O3/c11-10(12,13)1-4-15-9(7(14)17)2-5-16(6-3-9)8(18)19/h15H,1-6H2,(H2,14,17)(H,18,19).
What are the key properties of 4-carbamoyl-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxylic acid?
4-carbamoyl-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxylic acid has a molecular weight of 283.25 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoyl-4-(3,3,3-trifluoropropylamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 66697802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).