(2R)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide

C18H25N3O+2 — CID 9047105

IUPAC(2R)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide
SMILESC[C@H](C(N)=O)[NH+]1CC[NH+](Cc2cccc3ccccc23)CC1
InChIInChI=1S/C18H23N3O/c1-14(18(19)22)21-11-9-20(10-12-21)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,14H,9-13H2,1H3,(H2,19,22)/p+2/t14-/m1/s1
InChIKeyXHVJENGTSCBXIM-CQSZACIVSA-P
MW299.42 g/mol
LogP-1.00
Rot. Bonds4

About (2R)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide

(2R)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide (PubChem CID 9047105) has the molecular formula C18H25N3O+2 and a molecular weight of 299.42 g/mol. Its IUPAC name is (2R)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide
PubChem CID9047105
Molecular FormulaC18H25N3O+2
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(2R)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide
SMILESC[C@H](C(N)=O)[NH+]1CC[NH+](Cc2cccc3ccccc23)CC1
InChIInChI=1S/C18H23N3O/c1-14(18(19)22)21-11-9-20(10-12-21)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,14H,9-13H2,1H3,(H2,19,22)/p+2/t14-/m1/s1
InChIKeyXHVJENGTSCBXIM-CQSZACIVSA-P
XLogP-1.00
TPSA51.97 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-(2-fluorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide
CID 9047010
(2S)-2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9258359
3-methyl-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]butan-1-one
CID 4742437
[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-ylidene]methanediamine
CID 8007600
4-(naphthalen-1-ylmethyl)morpholin-4-ium
CID 6942888
(2R)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-propan-2-ylpropanamide
CID 9348668
(2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9258870
2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylacetamide
CID 9046873
1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2,2-diphenylethanone
CID 4754444
(2S)-2-(naphthalen-1-ylmethylsulfanyl)propanamide
CID 94192877
1-(naphthalen-1-ylmethyl)-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium
CID 6981606
(2S)-N-cyclopentyl-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9257102

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide?
The IUPAC name of (2R)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide (CID 9047105) is (2R)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide.
What is the SMILES notation for (2R)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide?
The canonical SMILES for (2R)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide is C[C@H](C(N)=O)[NH+]1CC[NH+](Cc2cccc3ccccc23)CC1.
What is the InChIKey of (2R)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide?
The InChIKey is XHVJENGTSCBXIM-CQSZACIVSA-P. The full InChI is InChI=1S/C18H23N3O/c1-14(18(19)22)21-11-9-20(10-12-21)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,14H,9-13H2,1H3,(H2,19,22)/p+2/t14-/m1/s1.
What are the key properties of (2R)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide?
(2R)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide has a molecular weight of 299.42 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide is sourced from PubChem (CID 9047105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).