N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide

C20H27N3O — CID 6468013

IUPACN-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C20H27N3O/c1-2-3-11-21-20(24)23-14-12-22(13-15-23)16-18-9-6-8-17-7-4-5-10-19(17)18/h4-10H,2-3,11-16H2,1H3,(H,21,24)
InChIKeyCXPYSMOMOZAGBW-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.47
Rot. Bonds5

About N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide

N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide (PubChem CID 6468013) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
PubChem CID6468013
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C20H27N3O/c1-2-3-11-21-20(24)23-14-12-22(13-15-23)16-18-9-6-8-17-7-4-5-10-19(17)18/h4-10H,2-3,11-16H2,1H3,(H,21,24)
InChIKeyCXPYSMOMOZAGBW-UHFFFAOYSA-N
XLogP3.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
4-(naphthalen-1-ylmethyl)-N-propylpiperazine-1-carbothioamide
CID 9097497
4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide
CID 47120804
4-[2-(ethylamino)-2-oxoethyl]-N-(2-naphthalen-1-ylethyl)piperazine-1-carboxamide
CID 38381542
(2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 119834679
tert-butyl N-[4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutyl]carbamate
CID 55407681
N-butylaziridine-1-carboxamide
CID 55206947
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
(2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide
CID 8804679
2,2-dimethyl-N-[3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-oxopropyl]propanamide
CID 37216695
N-(3-fluoro-4-methylphenyl)-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
CID 17087632

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide (CID 6468013) is N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide is CCCCNC(=O)N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide?
The InChIKey is CXPYSMOMOZAGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-2-3-11-21-20(24)23-14-12-22(13-15-23)16-18-9-6-8-17-7-4-5-10-19(17)18/h4-10H,2-3,11-16H2,1H3,(H,21,24).
What are the key properties of N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide?
N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 6468013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).