(3S)-3-[(2-fluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-1-carboxamide

C17H21FN4O2 — CID 126430160

IUPAC(3S)-3-[(2-fluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ncc[nH]1)N1CCC[C@H](COc2ccccc2F)C1
InChIInChI=1S/C17H21FN4O2/c18-14-5-1-2-6-15(14)24-12-13-4-3-9-22(11-13)17(23)21-10-16-19-7-8-20-16/h1-2,5-8,13H,3-4,9-12H2,(H,19,20)(H,21,23)/t13-/m0/s1
InChIKeySGUBJBSDZATCQT-ZDUSSCGKSA-N
MW332.38 g/mol
LogP2.55
Rot. Bonds5

About (3S)-3-[(2-fluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-1-carboxamide

(3S)-3-[(2-fluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 126430160) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is (3S)-3-[(2-fluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(2-fluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-1-carboxamide
PubChem CID126430160
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name(3S)-3-[(2-fluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ncc[nH]1)N1CCC[C@H](COc2ccccc2F)C1
InChIInChI=1S/C17H21FN4O2/c18-14-5-1-2-6-15(14)24-12-13-4-3-9-22(11-13)17(23)21-10-16-19-7-8-20-16/h1-2,5-8,13H,3-4,9-12H2,(H,19,20)(H,21,23)/t13-/m0/s1
InChIKeySGUBJBSDZATCQT-ZDUSSCGKSA-N
XLogP2.55
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide
CID 119071247
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638623
2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 162679483
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70712182
3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22248249
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 110638619
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110638610
3-[[3-[(2-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid
CID 22248542
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 70785166
[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 95897446
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429453
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 (3S)-3-[(2-fluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[(2-fluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-1-carboxamide (CID 126430160) is (3S)-3-[(2-fluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(2-fluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(2-fluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-1-carboxamide is O=C(NCc1ncc[nH]1)N1CCC[C@H](COc2ccccc2F)C1.
What is the InChIKey of (3S)-3-[(2-fluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is SGUBJBSDZATCQT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21FN4O2/c18-14-5-1-2-6-15(14)24-12-13-4-3-9-22(11-13)17(23)21-10-16-19-7-8-20-16/h1-2,5-8,13H,3-4,9-12H2,(H,19,20)(H,21,23)/t13-/m0/s1.
What are the key properties of (3S)-3-[(2-fluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-1-carboxamide?
(3S)-3-[(2-fluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-fluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126430160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).