4-(dimethylamino)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide

C23H30N4O2 — CID 22896535

IUPAC4-(dimethylamino)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide
SMILESCN1CCN(c2cccc3c2C[C@H](NC(=O)c2ccc(N(C)C)cc2)CO3)CC1
InChIInChI=1S/C23H30N4O2/c1-25(2)19-9-7-17(8-10-19)23(28)24-18-15-20-21(5-4-6-22(20)29-16-18)27-13-11-26(3)12-14-27/h4-10,18H,11-16H2,1-3H3,(H,24,28)/t18-/m0/s1
InChIKeyUNWUPWPKOMAYFC-SFHVURJKSA-N
MW394.52 g/mol
LogP2.24
Rot. Bonds4

About 4-(dimethylamino)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide

4-(dimethylamino)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide (PubChem CID 22896535) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide
PubChem CID22896535
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name4-(dimethylamino)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide
SMILESCN1CCN(c2cccc3c2C[C@H](NC(=O)c2ccc(N(C)C)cc2)CO3)CC1
InChIInChI=1S/C23H30N4O2/c1-25(2)19-9-7-17(8-10-19)23(28)24-18-15-20-21(5-4-6-22(20)29-16-18)27-13-11-26(3)12-14-27/h4-10,18H,11-16H2,1-3H3,(H,24,28)/t18-/m0/s1
InChIKeyUNWUPWPKOMAYFC-SFHVURJKSA-N
XLogP2.24
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(dimethylamino)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-propan-2-yloxybenzamide
CID 25054984
[4-[[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]phenyl] trifluoromethanesulfonate
CID 25054728
N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide
CID 110751024
2-hydroxy-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 22064018
N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpyridine-2-carboxamide
CID 25054987
1-benzyl-3-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1-propan-2-ylurea
CID 25054985
N-[4-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]butoxy]benzamide
CID 54056567
4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 18475734
N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide
CID 54551314
4-(dimethylamino)-N-(1-phenylpiperidin-4-yl)benzamide
CID 110745886
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 54131278

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide (CID 22896535) is 4-(dimethylamino)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide is CN1CCN(c2cccc3c2C[C@H](NC(=O)c2ccc(N(C)C)cc2)CO3)CC1.
What is the InChIKey of 4-(dimethylamino)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide?
The InChIKey is UNWUPWPKOMAYFC-SFHVURJKSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-25(2)19-9-7-17(8-10-19)23(28)24-18-15-20-21(5-4-6-22(20)29-16-18)27-13-11-26(3)12-14-27/h4-10,18H,11-16H2,1-3H3,(H,24,28)/t18-/m0/s1.
What are the key properties of 4-(dimethylamino)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide?
4-(dimethylamino)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide has a molecular weight of 394.52 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide is sourced from PubChem (CID 22896535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).