(4-methylpiperazin-1-yl)-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclobutyl]methanone

C22H29N3O — CID 59617429

IUPAC(4-methylpiperazin-1-yl)-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclobutyl]methanone
SMILESC[C@@H](NC1CC(C(=O)N2CCN(C)CC2)C1)c1cccc2ccccc12
InChIInChI=1S/C22H29N3O/c1-16(20-9-5-7-17-6-3-4-8-21(17)20)23-19-14-18(15-19)22(26)25-12-10-24(2)11-13-25/h3-9,16,18-19,23H,10-15H2,1-2H3/t16-,18?,19?/m1/s1
InChIKeyQZNLUXZQNLVWFL-IPJUCJBFSA-N
MW351.49 g/mol
LogP3.04
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclobutyl]methanone

(4-methylpiperazin-1-yl)-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclobutyl]methanone (PubChem CID 59617429) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclobutyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclobutyl]methanone
PubChem CID59617429
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name(4-methylpiperazin-1-yl)-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclobutyl]methanone
SMILESC[C@@H](NC1CC(C(=O)N2CCN(C)CC2)C1)c1cccc2ccccc12
InChIInChI=1S/C22H29N3O/c1-16(20-9-5-7-17-6-3-4-8-21(17)20)23-19-14-18(15-19)22(26)25-12-10-24(2)11-13-25/h3-9,16,18-19,23H,10-15H2,1-2H3/t16-,18?,19?/m1/s1
InChIKeyQZNLUXZQNLVWFL-IPJUCJBFSA-N
XLogP3.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-methylpiperazin-1-yl)-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclobutyl]methanone with MolForge

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Related Compounds

[4-(2-methoxyethyl)piperazin-1-yl]-[3-(1-naphthalen-1-ylethylamino)cyclobutyl]methanone
CID 68761390
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
N-[(1R)-1-naphthalen-1-ylethyl]azetidin-3-amine
CID 58973497
N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine
CID 158787446
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 41104934
N-(1-naphthalen-1-ylethyl)-1,1-dioxothian-4-amine
CID 43511636
4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]benzoic acid
CID 59617339
4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid
CID 68781148
N-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine
CID 43177589
tert-butyl (3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidine-1-carboxylate
CID 121478883
tert-butyl (3S)-3-[[(1S)-1-naphthalen-1-ylethyl]amino]pyrrolidine-1-carboxylate
CID 175358217
N,N-dimethyl-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide;hydrochloride
CID 67410917

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclobutyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclobutyl]methanone (CID 59617429) is (4-methylpiperazin-1-yl)-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclobutyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclobutyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclobutyl]methanone is C[C@@H](NC1CC(C(=O)N2CCN(C)CC2)C1)c1cccc2ccccc12.
What is the InChIKey of (4-methylpiperazin-1-yl)-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclobutyl]methanone?
The InChIKey is QZNLUXZQNLVWFL-IPJUCJBFSA-N. The full InChI is InChI=1S/C22H29N3O/c1-16(20-9-5-7-17-6-3-4-8-21(17)20)23-19-14-18(15-19)22(26)25-12-10-24(2)11-13-25/h3-9,16,18-19,23H,10-15H2,1-2H3/t16-,18?,19?/m1/s1.
What are the key properties of (4-methylpiperazin-1-yl)-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclobutyl]methanone?
(4-methylpiperazin-1-yl)-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclobutyl]methanone has a molecular weight of 351.49 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclobutyl]methanone is sourced from PubChem (CID 59617429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).