N-(2-methoxyphenyl)-3-[(3S,4S)-3-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanamide

C21H34N4O2 — CID 97250421

IUPACN-(2-methoxyphenyl)-3-[(3S,4S)-3-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanamide
SMILESCOc1ccccc1NC(=O)CCN1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1
InChIInChI=1S/C21H34N4O2/c1-17-16-24(10-8-19(17)25-14-12-23(2)13-15-25)11-9-21(26)22-18-6-4-5-7-20(18)27-3/h4-7,17,19H,8-16H2,1-3H3,(H,22,26)/t17-,19-/m0/s1
InChIKeyJBAAVTAVWKTNMZ-HKUYNNGSSA-N
MW374.53 g/mol
LogP1.98
Rot. Bonds6

About N-(2-methoxyphenyl)-3-[(3S,4S)-3-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanamide

N-(2-methoxyphenyl)-3-[(3S,4S)-3-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanamide (PubChem CID 97250421) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-[(3S,4S)-3-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-[(3S,4S)-3-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanamide
PubChem CID97250421
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC NameN-(2-methoxyphenyl)-3-[(3S,4S)-3-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanamide
SMILESCOc1ccccc1NC(=O)CCN1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1
InChIInChI=1S/C21H34N4O2/c1-17-16-24(10-8-19(17)25-14-12-23(2)13-15-25)11-9-21(26)22-18-6-4-5-7-20(18)27-3/h4-7,17,19H,8-16H2,1-3H3,(H,22,26)/t17-,19-/m0/s1
InChIKeyJBAAVTAVWKTNMZ-HKUYNNGSSA-N
XLogP1.98
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-[(3S,4S)-3-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-[(3S,4S)-3-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanamide (CID 97250421) is N-(2-methoxyphenyl)-3-[(3S,4S)-3-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-[(3S,4S)-3-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-[(3S,4S)-3-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanamide is COc1ccccc1NC(=O)CCN1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1.
What is the InChIKey of N-(2-methoxyphenyl)-3-[(3S,4S)-3-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanamide?
The InChIKey is JBAAVTAVWKTNMZ-HKUYNNGSSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-17-16-24(10-8-19(17)25-14-12-23(2)13-15-25)11-9-21(26)22-18-6-4-5-7-20(18)27-3/h4-7,17,19H,8-16H2,1-3H3,(H,22,26)/t17-,19-/m0/s1.
What are the key properties of N-(2-methoxyphenyl)-3-[(3S,4S)-3-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanamide?
N-(2-methoxyphenyl)-3-[(3S,4S)-3-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanamide has a molecular weight of 374.53 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-[(3S,4S)-3-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 97250421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).