N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-3-carboxamide

C24H38N4O — CID 75455738

IUPACN-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
SMILESCC(CN1CCN(C)CC1)NC(=O)C1CCN(CC2CCCc3ccccc32)C1
InChIInChI=1S/C24H38N4O/c1-19(16-27-14-12-26(2)13-15-27)25-24(29)22-10-11-28(18-22)17-21-8-5-7-20-6-3-4-9-23(20)21/h3-4,6,9,19,21-22H,5,7-8,10-18H2,1-2H3,(H,25,29)
InChIKeyIZUIPSQIWPNMNJ-UHFFFAOYSA-N
MW398.60 g/mol
LogP2.18
Rot. Bonds6

About N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-3-carboxamide

N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 75455738) has the molecular formula C24H38N4O and a molecular weight of 398.60 g/mol. Its IUPAC name is N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID75455738
Molecular FormulaC24H38N4O
Molecular Weight398.60 g/mol
Exact Mass398.30
IUPAC NameN-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
SMILESCC(CN1CCN(C)CC1)NC(=O)C1CCN(CC2CCCc3ccccc32)C1
InChIInChI=1S/C24H38N4O/c1-19(16-27-14-12-26(2)13-15-27)25-24(29)22-10-11-28(18-22)17-21-8-5-7-20-6-3-4-9-23(20)21/h3-4,6,9,19,21-22H,5,7-8,10-18H2,1-2H3,(H,25,29)
InChIKeyIZUIPSQIWPNMNJ-UHFFFAOYSA-N
XLogP2.18
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-1-ylmethyl)pyrrolidine-3-carboxamide
CID 126798297
3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine
CID 63771318
[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methanol
CID 55242278
N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 63772800
N-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]ethanamine
CID 63854126
2-methyl-3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 63770721
N'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide
CID 77041361
1-(2-bromoethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 80678906
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 64833584
N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485
1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116556095
N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide
CID 22922689

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-3-carboxamide (CID 75455738) is N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-3-carboxamide is CC(CN1CCN(C)CC1)NC(=O)C1CCN(CC2CCCc3ccccc32)C1.
What is the InChIKey of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is IZUIPSQIWPNMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O/c1-19(16-27-14-12-26(2)13-15-27)25-24(29)22-10-11-28(18-22)17-21-8-5-7-20-6-3-4-9-23(20)21/h3-4,6,9,19,21-22H,5,7-8,10-18H2,1-2H3,(H,25,29).
What are the key properties of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-3-carboxamide?
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 398.60 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 75455738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).