N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide

C16H22FN3O3 — CID 119071247

IUPACN-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide
SMILESNC(=O)CCNC(=O)N1CCCC(COc2ccccc2F)C1
InChIInChI=1S/C16H22FN3O3/c17-13-5-1-2-6-14(13)23-11-12-4-3-9-20(10-12)16(22)19-8-7-15(18)21/h1-2,5-6,12H,3-4,7-11H2,(H2,18,21)(H,19,22)
InChIKeyBXMUBVPAQHBGCP-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.50
Rot. Bonds6

About N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide

N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide (PubChem CID 119071247) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide
PubChem CID119071247
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC NameN-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide
SMILESNC(=O)CCNC(=O)N1CCCC(COc2ccccc2F)C1
InChIInChI=1S/C16H22FN3O3/c17-13-5-1-2-6-14(13)23-11-12-4-3-9-20(10-12)16(22)19-8-7-15(18)21/h1-2,5-6,12H,3-4,7-11H2,(H2,18,21)(H,19,22)
InChIKeyBXMUBVPAQHBGCP-UHFFFAOYSA-N
XLogP1.50
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 162679483
(3S)-3-[(2-fluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-1-carboxamide
CID 126430160
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70712182
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 110638619
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638623
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110638610
3-(2-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43403252
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429453
[(3S)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 95885714
[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 95897446
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 70785166
1-[2-[(3S)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95860963

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide (CID 119071247) is N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide is NC(=O)CCNC(=O)N1CCCC(COc2ccccc2F)C1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide?
The InChIKey is BXMUBVPAQHBGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3/c17-13-5-1-2-6-14(13)23-11-12-4-3-9-20(10-12)16(22)19-8-7-15(18)21/h1-2,5-6,12H,3-4,7-11H2,(H2,18,21)(H,19,22).
What are the key properties of N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide?
N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 119071247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).