4-(2-fluoropropyl)-N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide

C19H28FN3O2 — CID 167795420

IUPAC4-(2-fluoropropyl)-N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide
SMILESCO[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCN(CC(C)F)CC1
InChIInChI=1S/C19H28FN3O2/c1-14(20)13-22-9-11-23(12-10-22)19(24)21-18-16-6-4-3-5-15(16)7-8-17(18)25-2/h3-6,14,17-18H,7-13H2,1-2H3,(H,21,24)/t14?,17-,18-/m1/s1
InChIKeyJNODRWNZCPESJT-KNHHTTPFSA-N
MW349.45 g/mol
LogP2.37
Rot. Bonds4

About 4-(2-fluoropropyl)-N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide

4-(2-fluoropropyl)-N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide (PubChem CID 167795420) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 4-(2-fluoropropyl)-N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluoropropyl)-N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide
PubChem CID167795420
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name4-(2-fluoropropyl)-N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide
SMILESCO[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCN(CC(C)F)CC1
InChIInChI=1S/C19H28FN3O2/c1-14(20)13-22-9-11-23(12-10-22)19(24)21-18-16-6-4-3-5-15(16)7-8-17(18)25-2/h3-6,14,17-18H,7-13H2,1-2H3,(H,21,24)/t14?,17-,18-/m1/s1
InChIKeyJNODRWNZCPESJT-KNHHTTPFSA-N
XLogP2.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-fluoropropyl)-N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide with MolForge

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Related Compounds

[(1R)-2,3-dihydro-1H-inden-1-yl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95607316
N-[(1R,2S)-2-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 134952452
2-methyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42627892
1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122008246
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1-carboxamide
CID 112729494
(1R,2S)-2-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 118421434
N-[(1R,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 141199420
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 95134326
(1R)-2-methoxy-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine
CID 166823758
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 60780698
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 110895962

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropyl)-N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-fluoropropyl)-N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide (CID 167795420) is 4-(2-fluoropropyl)-N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-fluoropropyl)-N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-fluoropropyl)-N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide is CO[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCN(CC(C)F)CC1.
What is the InChIKey of 4-(2-fluoropropyl)-N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide?
The InChIKey is JNODRWNZCPESJT-KNHHTTPFSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-14(20)13-22-9-11-23(12-10-22)19(24)21-18-16-6-4-3-5-15(16)7-8-17(18)25-2/h3-6,14,17-18H,7-13H2,1-2H3,(H,21,24)/t14?,17-,18-/m1/s1.
What are the key properties of 4-(2-fluoropropyl)-N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide?
4-(2-fluoropropyl)-N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide has a molecular weight of 349.45 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropyl)-N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide is sourced from PubChem (CID 167795420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).