(2S)-N-tert-butyl-1-methyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-2-carboxamide

C22H29N3O3 — CID 59986570

IUPAC(2S)-N-tert-butyl-1-methyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-2-carboxamide
SMILESCN1CCN(C(=O)COc2ccc3ccccc3c2)C[C@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C22H29N3O3/c1-22(2,3)23-21(27)19-14-25(12-11-24(19)4)20(26)15-28-18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13,19H,11-12,14-15H2,1-4H3,(H,23,27)/t19-/m0/s1
InChIKeyHIDPXQGCAASGJY-IBGZPJMESA-N
MW383.49 g/mol
LogP2.28
Rot. Bonds4

About (2S)-N-tert-butyl-1-methyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-2-carboxamide

(2S)-N-tert-butyl-1-methyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-2-carboxamide (PubChem CID 59986570) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is (2S)-N-tert-butyl-1-methyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-1-methyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-2-carboxamide
PubChem CID59986570
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name(2S)-N-tert-butyl-1-methyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-2-carboxamide
SMILESCN1CCN(C(=O)COc2ccc3ccccc3c2)C[C@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C22H29N3O3/c1-22(2,3)23-21(27)19-14-25(12-11-24(19)4)20(26)15-28-18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13,19H,11-12,14-15H2,1-4H3,(H,23,27)/t19-/m0/s1
InChIKeyHIDPXQGCAASGJY-IBGZPJMESA-N
XLogP2.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)-1,4-diazepan-1-yl]acetamide
CID 9078788
4-[2-[3-(dimethylamino)phenoxy]acetyl]-N,1-dimethylpiperazine-2-carboxamide
CID 110086228
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270
N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide
CID 34222283
1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 7354673
1-[4-(2-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 4159290
4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate
CID 2050458
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
2-naphthalen-2-yloxy-1-[3-(triazol-2-yl)azetidin-1-yl]ethanone
CID 131703658
N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide
CID 10238336
1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid
CID 2880120

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-1-methyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-N-tert-butyl-1-methyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-2-carboxamide (CID 59986570) is (2S)-N-tert-butyl-1-methyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N-tert-butyl-1-methyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-N-tert-butyl-1-methyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-2-carboxamide is CN1CCN(C(=O)COc2ccc3ccccc3c2)C[C@H]1C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-1-methyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-2-carboxamide?
The InChIKey is HIDPXQGCAASGJY-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N3O3/c1-22(2,3)23-21(27)19-14-25(12-11-24(19)4)20(26)15-28-18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13,19H,11-12,14-15H2,1-4H3,(H,23,27)/t19-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-1-methyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-2-carboxamide?
(2S)-N-tert-butyl-1-methyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-2-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-1-methyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-2-carboxamide is sourced from PubChem (CID 59986570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).