2-methylpropyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate

C17H28N4O2 — CID 11537062

IUPAC2-methylpropyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate
SMILESCC(C)COC(=O)Nc1ccc(N2CCN(C(C)C)CC2)nc1
InChIInChI=1S/C17H28N4O2/c1-13(2)12-23-17(22)19-15-5-6-16(18-11-15)21-9-7-20(8-10-21)14(3)4/h5-6,11,13-14H,7-10,12H2,1-4H3,(H,19,22)
InChIKeyBFQQQBWZKPDPOC-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.82
Rot. Bonds5

About 2-methylpropyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate

2-methylpropyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate (PubChem CID 11537062) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-methylpropyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate
PubChem CID11537062
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-methylpropyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate
SMILESCC(C)COC(=O)Nc1ccc(N2CCN(C(C)C)CC2)nc1
InChIInChI=1S/C17H28N4O2/c1-13(2)12-23-17(22)19-15-5-6-16(18-11-15)21-9-7-20(8-10-21)14(3)4/h5-6,11,13-14H,7-10,12H2,1-4H3,(H,19,22)
InChIKeyBFQQQBWZKPDPOC-UHFFFAOYSA-N
XLogP2.82
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate
CID 11500270
ethyl N-(6-piperidin-1-yl-3-pyridinyl)carbamate
CID 60715583
2-(3,4-dimethoxyphenyl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 11718243
ethyl 4-[5-(3-methylbutanoylamino)-2-pyridinyl]piperazine-1-carboxylate
CID 113014216
N-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 901299
ethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
CID 113014423
1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one
CID 102546833
3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 120872707
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate
CID 113015925
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)pentanamide;dihydrochloride
CID 120564420
2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 107355702

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate?
The IUPAC name of 2-methylpropyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate (CID 11537062) is 2-methylpropyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate is CC(C)COC(=O)Nc1ccc(N2CCN(C(C)C)CC2)nc1.
What is the InChIKey of 2-methylpropyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate?
The InChIKey is BFQQQBWZKPDPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13(2)12-23-17(22)19-15-5-6-16(18-11-15)21-9-7-20(8-10-21)14(3)4/h5-6,11,13-14H,7-10,12H2,1-4H3,(H,19,22).
What are the key properties of 2-methylpropyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate?
2-methylpropyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate has a molecular weight of 320.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 11537062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).