N-[(4-fluorophenyl)methyl]-3-[1-[2-[(3S)-morpholin-3-yl]acetyl]piperidin-4-yl]propanamide

C21H30FN3O3 — CID 97278133

IUPACN-[(4-fluorophenyl)methyl]-3-[1-[2-[(3S)-morpholin-3-yl]acetyl]piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C(=O)C[C@H]2COCCN2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C21H30FN3O3/c22-18-4-1-17(2-5-18)14-24-20(26)6-3-16-7-10-25(11-8-16)21(27)13-19-15-28-12-9-23-19/h1-2,4-5,16,19,23H,3,6-15H2,(H,24,26)/t19-/m0/s1
InChIKeyJSSIZEAWDHJQNO-IBGZPJMESA-N
MW391.49 g/mol
LogP1.84
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-3-[1-[2-[(3S)-morpholin-3-yl]acetyl]piperidin-4-yl]propanamide

N-[(4-fluorophenyl)methyl]-3-[1-[2-[(3S)-morpholin-3-yl]acetyl]piperidin-4-yl]propanamide (PubChem CID 97278133) has the molecular formula C21H30FN3O3 and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[1-[2-[(3S)-morpholin-3-yl]acetyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[1-[2-[(3S)-morpholin-3-yl]acetyl]piperidin-4-yl]propanamide
PubChem CID97278133
Molecular FormulaC21H30FN3O3
Molecular Weight391.49 g/mol
Exact Mass391.23
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[1-[2-[(3S)-morpholin-3-yl]acetyl]piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C(=O)C[C@H]2COCCN2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C21H30FN3O3/c22-18-4-1-17(2-5-18)14-24-20(26)6-3-16-7-10-25(11-8-16)21(27)13-19-15-28-12-9-23-19/h1-2,4-5,16,19,23H,3,6-15H2,(H,24,26)/t19-/m0/s1
InChIKeyJSSIZEAWDHJQNO-IBGZPJMESA-N
XLogP1.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 24817713
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-[(3S)-morpholin-3-yl]ethanone
CID 96581347
N-[(4-fluorophenyl)methyl]-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 45246303
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone
CID 70766726
4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 42378837
3-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 26392293
4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-prop-2-enylpiperidine-1-carboxamide
CID 26409623
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650
N-[(4-fluorophenyl)methyl]-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 25381636
4-[[3-(oxolan-3-yl)propanoylamino]methyl]benzoic acid
CID 119353374
1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 95720133
N-(1,1-dioxothiolan-3-yl)-4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 45207766

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-[2-[(3S)-morpholin-3-yl]acetyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-[2-[(3S)-morpholin-3-yl]acetyl]piperidin-4-yl]propanamide (CID 97278133) is N-[(4-fluorophenyl)methyl]-3-[1-[2-[(3S)-morpholin-3-yl]acetyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[1-[2-[(3S)-morpholin-3-yl]acetyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[1-[2-[(3S)-morpholin-3-yl]acetyl]piperidin-4-yl]propanamide is O=C(CCC1CCN(C(=O)C[C@H]2COCCN2)CC1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[1-[2-[(3S)-morpholin-3-yl]acetyl]piperidin-4-yl]propanamide?
The InChIKey is JSSIZEAWDHJQNO-IBGZPJMESA-N. The full InChI is InChI=1S/C21H30FN3O3/c22-18-4-1-17(2-5-18)14-24-20(26)6-3-16-7-10-25(11-8-16)21(27)13-19-15-28-12-9-23-19/h1-2,4-5,16,19,23H,3,6-15H2,(H,24,26)/t19-/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[1-[2-[(3S)-morpholin-3-yl]acetyl]piperidin-4-yl]propanamide?
N-[(4-fluorophenyl)methyl]-3-[1-[2-[(3S)-morpholin-3-yl]acetyl]piperidin-4-yl]propanamide has a molecular weight of 391.49 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[1-[2-[(3S)-morpholin-3-yl]acetyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 97278133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).