(3R)-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide

C22H30N4O — CID 126425758

IUPAC(3R)-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
SMILESCN1CCN([C@@H]2CCN(C(=O)NCCc3ccc4ccccc4c3)C2)CC1
InChIInChI=1S/C22H30N4O/c1-24-12-14-25(15-13-24)21-9-11-26(17-21)22(27)23-10-8-18-6-7-19-4-2-3-5-20(19)16-18/h2-7,16,21H,8-15,17H2,1H3,(H,23,27)/t21-/m1/s1
InChIKeyTUWPPYNPQQCJFK-OAQYLSRUSA-N
MW366.51 g/mol
LogP2.41
Rot. Bonds4

About (3R)-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide

(3R)-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide (PubChem CID 126425758) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (3R)-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
PubChem CID126425758
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(3R)-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
SMILESCN1CCN([C@@H]2CCN(C(=O)NCCc3ccc4ccccc4c3)C2)CC1
InChIInChI=1S/C22H30N4O/c1-24-12-14-25(15-13-24)21-9-11-26(17-21)22(27)23-10-8-18-6-7-19-4-2-3-5-20(19)16-18/h2-7,16,21H,8-15,17H2,1H3,(H,23,27)/t21-/m1/s1
InChIKeyTUWPPYNPQQCJFK-OAQYLSRUSA-N
XLogP2.41
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 91661425
(3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 99626273
(9aR)-N-[2-(4-methoxyphenyl)ethyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 98742869
(9aS)-N-[2-(4-methoxyphenyl)ethyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 95127897
4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103421
(3S)-N-[2-(1H-indol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboxamide
CID 124577288
N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 120994616
2-methyl-N-(2-naphthalen-2-ylethyl)propanamide
CID 118336690
N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 110874461
(3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide
CID 98203455
(3S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168266
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 56800974

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide (CID 126425758) is (3R)-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide is CN1CCN([C@@H]2CCN(C(=O)NCCc3ccc4ccccc4c3)C2)CC1.
What is the InChIKey of (3R)-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide?
The InChIKey is TUWPPYNPQQCJFK-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H30N4O/c1-24-12-14-25(15-13-24)21-9-11-26(17-21)22(27)23-10-8-18-6-7-19-4-2-3-5-20(19)16-18/h2-7,16,21H,8-15,17H2,1H3,(H,23,27)/t21-/m1/s1.
What are the key properties of (3R)-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide?
(3R)-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126425758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).