(2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(2-methylpropyl)amino]piperidine-2-carboxamide

C24H42N4O3 — CID 23906764

IUPAC(2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(2-methylpropyl)amino]piperidine-2-carboxamide
SMILESCC(=O)N1CCC(N(CC(C)C)C(=O)C2CC2)C[C@@H]1C(=O)NCC1CCC(CN)CC1
InChIInChI=1S/C24H42N4O3/c1-16(2)15-28(24(31)20-8-9-20)21-10-11-27(17(3)29)22(12-21)23(30)26-14-19-6-4-18(13-25)5-7-19/h16,18-22H,4-15,25H2,1-3H3,(H,26,30)/t18?,19?,21?,22-/m1/s1
InChIKeyUFVVBYHHZPBLCX-MAWFMLJDSA-N
MW434.63 g/mol
LogP2.14
Rot. Bonds8

About (2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(2-methylpropyl)amino]piperidine-2-carboxamide

(2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(2-methylpropyl)amino]piperidine-2-carboxamide (PubChem CID 23906764) has the molecular formula C24H42N4O3 and a molecular weight of 434.63 g/mol. Its IUPAC name is (2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(2-methylpropyl)amino]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(2-methylpropyl)amino]piperidine-2-carboxamide
PubChem CID23906764
Molecular FormulaC24H42N4O3
Molecular Weight434.63 g/mol
Exact Mass434.33
IUPAC Name(2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(2-methylpropyl)amino]piperidine-2-carboxamide
SMILESCC(=O)N1CCC(N(CC(C)C)C(=O)C2CC2)C[C@@H]1C(=O)NCC1CCC(CN)CC1
InChIInChI=1S/C24H42N4O3/c1-16(2)15-28(24(31)20-8-9-20)21-10-11-27(17(3)29)22(12-21)23(30)26-14-19-6-4-18(13-25)5-7-19/h16,18-22H,4-15,25H2,1-3H3,(H,26,30)/t18?,19?,21?,22-/m1/s1
InChIKeyUFVVBYHHZPBLCX-MAWFMLJDSA-N
XLogP2.14
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.63
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(2-methylpropyl)amino]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(2-methylpropyl)amino]piperidine-2-carboxamide (CID 23906764) is (2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(2-methylpropyl)amino]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(2-methylpropyl)amino]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(2-methylpropyl)amino]piperidine-2-carboxamide is CC(=O)N1CCC(N(CC(C)C)C(=O)C2CC2)C[C@@H]1C(=O)NCC1CCC(CN)CC1.
What is the InChIKey of (2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(2-methylpropyl)amino]piperidine-2-carboxamide?
The InChIKey is UFVVBYHHZPBLCX-MAWFMLJDSA-N. The full InChI is InChI=1S/C24H42N4O3/c1-16(2)15-28(24(31)20-8-9-20)21-10-11-27(17(3)29)22(12-21)23(30)26-14-19-6-4-18(13-25)5-7-19/h16,18-22H,4-15,25H2,1-3H3,(H,26,30)/t18?,19?,21?,22-/m1/s1.
What are the key properties of (2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(2-methylpropyl)amino]piperidine-2-carboxamide?
(2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(2-methylpropyl)amino]piperidine-2-carboxamide has a molecular weight of 434.63 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(2-methylpropyl)amino]piperidine-2-carboxamide is sourced from PubChem (CID 23906764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).