(3R)-1-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperidine-3-carboxamide

C14H20F3N5O — CID 94819135

IUPAC(3R)-1-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(CCCNc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H20F3N5O/c15-14(16,17)11-4-6-20-13(21-11)19-5-2-8-22-7-1-3-10(9-22)12(18)23/h4,6,10H,1-3,5,7-9H2,(H2,18,23)(H,19,20,21)/t10-/m1/s1
InChIKeyFCJKJPBCDDLPRB-SNVBAGLBSA-N
MW331.34 g/mol
LogP1.49
Rot. Bonds6

About (3R)-1-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperidine-3-carboxamide

(3R)-1-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperidine-3-carboxamide (PubChem CID 94819135) has the molecular formula C14H20F3N5O and a molecular weight of 331.34 g/mol. Its IUPAC name is (3R)-1-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperidine-3-carboxamide
PubChem CID94819135
Molecular FormulaC14H20F3N5O
Molecular Weight331.34 g/mol
Exact Mass331.16
IUPAC Name(3R)-1-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(CCCNc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H20F3N5O/c15-14(16,17)11-4-6-20-13(21-11)19-5-2-8-22-7-1-3-10(9-22)12(18)23/h4,6,10H,1-3,5,7-9H2,(H2,18,23)(H,19,20,21)/t10-/m1/s1
InChIKeyFCJKJPBCDDLPRB-SNVBAGLBSA-N
XLogP1.49
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperazine-1-carboxylate
CID 60507645
1-[3-(azepan-1-yl)propyl]-2-methyl-3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]guanidine
CID 111775066
(3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide
CID 95155929
1-[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286281
1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide
CID 134697105
1-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 61386237
9-amino-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990410
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95334464
2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 104683281
1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide
CID 72854350
(3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide
CID 97271140
N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine
CID 107323566

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperidine-3-carboxamide (CID 94819135) is (3R)-1-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(CCCNc2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of (3R)-1-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperidine-3-carboxamide?
The InChIKey is FCJKJPBCDDLPRB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20F3N5O/c15-14(16,17)11-4-6-20-13(21-11)19-5-2-8-22-7-1-3-10(9-22)12(18)23/h4,6,10H,1-3,5,7-9H2,(H2,18,23)(H,19,20,21)/t10-/m1/s1.
What are the key properties of (3R)-1-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperidine-3-carboxamide?
(3R)-1-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperidine-3-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 94819135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).