N-[(3R)-1-methylpyrrolidin-3-yl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

C16H22F3N5O — CID 59568959

IUPACN-[(3R)-1-methylpyrrolidin-3-yl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCN1CC[C@@H](NC(=O)C2CCN(c3nccc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C16H22F3N5O/c1-23-7-5-12(10-23)21-14(25)11-3-8-24(9-4-11)15-20-6-2-13(22-15)16(17,18)19/h2,6,11-12H,3-5,7-10H2,1H3,(H,21,25)/t12-/m1/s1
InChIKeyFDKYTAULOSRFRC-GFCCVEGCSA-N
MW357.38 g/mol
LogP1.53
Rot. Bonds3

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

N-[(3R)-1-methylpyrrolidin-3-yl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 59568959) has the molecular formula C16H22F3N5O and a molecular weight of 357.38 g/mol. Its IUPAC name is N-[(3R)-1-methylpyrrolidin-3-yl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-methylpyrrolidin-3-yl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID59568959
Molecular FormulaC16H22F3N5O
Molecular Weight357.38 g/mol
Exact Mass357.18
IUPAC NameN-[(3R)-1-methylpyrrolidin-3-yl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCN1CC[C@@H](NC(=O)C2CCN(c3nccc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C16H22F3N5O/c1-23-7-5-12(10-23)21-14(25)11-3-8-24(9-4-11)15-20-6-2-13(22-15)16(17,18)19/h2,6,11-12H,3-5,7-10H2,1H3,(H,21,25)/t12-/m1/s1
InChIKeyFDKYTAULOSRFRC-GFCCVEGCSA-N
XLogP1.53
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-methylpyrrolidin-3-yl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(3R)-1-methylpyrrolidin-3-yl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide (CID 59568959) is N-[(3R)-1-methylpyrrolidin-3-yl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-methylpyrrolidin-3-yl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3R)-1-methylpyrrolidin-3-yl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide is CN1CC[C@@H](NC(=O)C2CCN(c3nccc(C(F)(F)F)n3)CC2)C1.
What is the InChIKey of N-[(3R)-1-methylpyrrolidin-3-yl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is FDKYTAULOSRFRC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22F3N5O/c1-23-7-5-12(10-23)21-14(25)11-3-8-24(9-4-11)15-20-6-2-13(22-15)16(17,18)19/h2,6,11-12H,3-5,7-10H2,1H3,(H,21,25)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-methylpyrrolidin-3-yl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
N-[(3R)-1-methylpyrrolidin-3-yl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 357.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-methylpyrrolidin-3-yl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 59568959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).