N-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide

C19H26FN3O2 — CID 60512490

IUPACN-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
SMILESO=C(CN1CCCC(C(=O)NCC2CC2)C1)NCc1ccc(F)cc1
InChIInChI=1S/C19H26FN3O2/c20-17-7-5-15(6-8-17)10-21-18(24)13-23-9-1-2-16(12-23)19(25)22-11-14-3-4-14/h5-8,14,16H,1-4,9-13H2,(H,21,24)(H,22,25)
InChIKeyREKNDKRUJMAHKF-UHFFFAOYSA-N
MW347.43 g/mol
LogP1.68
Rot. Bonds7

About N-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 60512490) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
PubChem CID60512490
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
SMILESO=C(CN1CCCC(C(=O)NCC2CC2)C1)NCc1ccc(F)cc1
InChIInChI=1S/C19H26FN3O2/c20-17-7-5-15(6-8-17)10-21-18(24)13-23-9-1-2-16(12-23)19(25)22-11-14-3-4-14/h5-8,14,16H,1-4,9-13H2,(H,21,24)(H,22,25)
InChIKeyREKNDKRUJMAHKF-UHFFFAOYSA-N
XLogP1.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 87017442
ethyl (3R)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 8533086
(3S)-1-[(4-fluorophenyl)methyl]-N-[(4-piperidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 94021500
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46774647
(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161419
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 18125275
(3S)-N-[(4-fluorophenyl)methyl]-1-[(3R)-3-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 98222096
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503
(3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethyl]piperidine-3-carboxamide
CID 124786781
N-(cyclopropylmethyl)-1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-3-carboxamide
CID 55841784
N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 51081872

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide (CID 60512490) is N-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide is O=C(CN1CCCC(C(=O)NCC2CC2)C1)NCc1ccc(F)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is REKNDKRUJMAHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c20-17-7-5-15(6-8-17)10-21-18(24)13-23-9-1-2-16(12-23)19(25)22-11-14-3-4-14/h5-8,14,16H,1-4,9-13H2,(H,21,24)(H,22,25).
What are the key properties of N-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 60512490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).