N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide;hydrochloride

C14H23ClF3N3O2 — CID 119336677

IUPACN-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)C1CCCCN1
InChIInChI=1S/C14H22F3N3O2.ClH/c15-14(16,17)13(22)20-7-4-10(5-8-20)9-19-12(21)11-3-1-2-6-18-11;/h10-11,18H,1-9H2,(H,19,21);1H
InChIKeyNBDGWGNTKALBJP-UHFFFAOYSA-N
MW357.80 g/mol
LogP1.47
Rot. Bonds3

About N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide;hydrochloride

N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119336677) has the molecular formula C14H23ClF3N3O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119336677
Molecular FormulaC14H23ClF3N3O2
Molecular Weight357.80 g/mol
Exact Mass357.14
IUPAC NameN-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)C1CCCCN1
InChIInChI=1S/C14H22F3N3O2.ClH/c15-14(16,17)13(22)20-7-4-10(5-8-20)9-19-12(21)11-3-1-2-6-18-11;/h10-11,18H,1-9H2,(H,19,21);1H
InChIKeyNBDGWGNTKALBJP-UHFFFAOYSA-N
XLogP1.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119866896
N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 103814109
N-(cyclobutylmethyl)azepane-2-carboxamide
CID 64564563
(2R)-N-[(4-hydroxycyclohexyl)methyl]piperidine-2-carboxamide
CID 106135357
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide
CID 103814111
(2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 113267408
N-(oxan-4-ylmethyl)azocane-2-carboxamide
CID 114240145
(2S)-1-ethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide
CID 96569146
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119324843
N-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119289763
(2R)-N-(cyclopropylmethyl)azetidine-2-carboxamide;hydrochloride
CID 130670141

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide;hydrochloride (CID 119336677) is N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide;hydrochloride is Cl.O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)C1CCCCN1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is NBDGWGNTKALBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O2.ClH/c15-14(16,17)13(22)20-7-4-10(5-8-20)9-19-12(21)11-3-1-2-6-18-11;/h10-11,18H,1-9H2,(H,19,21);1H.
What are the key properties of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide;hydrochloride?
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 357.80 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119336677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).