(2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide

C19H23F2N3O — CID 94762816

IUPAC(2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
SMILESC[C@@H](C(=O)Nc1cccc2ccccc12)N1CCN(CC(F)F)CC1
InChIInChI=1S/C19H23F2N3O/c1-14(24-11-9-23(10-12-24)13-18(20)21)19(25)22-17-8-4-6-15-5-2-3-7-16(15)17/h2-8,14,18H,9-13H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyLXZIOCXBGLSWGK-AWEZNQCLSA-N
MW347.41 g/mol
LogP3.05
Rot. Bonds5

About (2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide

(2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide (PubChem CID 94762816) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is (2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
PubChem CID94762816
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Name(2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
SMILESC[C@@H](C(=O)Nc1cccc2ccccc12)N1CCN(CC(F)F)CC1
InChIInChI=1S/C19H23F2N3O/c1-14(24-11-9-23(10-12-24)13-18(20)21)19(25)22-17-8-4-6-15-5-2-3-7-16(15)17/h2-8,14,18H,9-13H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyLXZIOCXBGLSWGK-AWEZNQCLSA-N
XLogP3.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-2-piperazin-1-ylpropanamide
CID 43089580
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
CID 4824595
N-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 18282245
N-naphthalen-1-yl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 4824587
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
CID 4824501
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 46567891
(2S)-N-naphthalen-1-yl-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100856193
N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86909784
(2R)-N-(2-fluorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30724639
(2R)-2-[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-N-naphthalen-1-ylpropanamide
CID 124880412
N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 16787878
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-naphthalen-1-ylpropanamide
CID 55354533

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide?
The IUPAC name of (2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide (CID 94762816) is (2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for (2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for (2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide is C[C@@H](C(=O)Nc1cccc2ccccc12)N1CCN(CC(F)F)CC1.
What is the InChIKey of (2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide?
The InChIKey is LXZIOCXBGLSWGK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23F2N3O/c1-14(24-11-9-23(10-12-24)13-18(20)21)19(25)22-17-8-4-6-15-5-2-3-7-16(15)17/h2-8,14,18H,9-13H2,1H3,(H,22,25)/t14-/m0/s1.
What are the key properties of (2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide?
(2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide has a molecular weight of 347.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 94762816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).