tert-butyl N-[5-methoxy-4-[(4-methylpiperazin-1-yl)amino]pentyl]carbamate

C16H34N4O3 — CID 103390751

IUPACtert-butyl N-[5-methoxy-4-[(4-methylpiperazin-1-yl)amino]pentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NN1CCN(C)CC1
InChIInChI=1S/C16H34N4O3/c1-16(2,3)23-15(21)17-8-6-7-14(13-22-5)18-20-11-9-19(4)10-12-20/h14,18H,6-13H2,1-5H3,(H,17,21)
InChIKeyMJRVIXZYRXCILU-UHFFFAOYSA-N
MW330.47 g/mol
LogP1.06
Rot. Bonds8

About tert-butyl N-[5-methoxy-4-[(4-methylpiperazin-1-yl)amino]pentyl]carbamate

tert-butyl N-[5-methoxy-4-[(4-methylpiperazin-1-yl)amino]pentyl]carbamate (PubChem CID 103390751) has the molecular formula C16H34N4O3 and a molecular weight of 330.47 g/mol. Its IUPAC name is tert-butyl N-[5-methoxy-4-[(4-methylpiperazin-1-yl)amino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-methoxy-4-[(4-methylpiperazin-1-yl)amino]pentyl]carbamate
PubChem CID103390751
Molecular FormulaC16H34N4O3
Molecular Weight330.47 g/mol
Exact Mass330.26
IUPAC Nametert-butyl N-[5-methoxy-4-[(4-methylpiperazin-1-yl)amino]pentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NN1CCN(C)CC1
InChIInChI=1S/C16H34N4O3/c1-16(2,3)23-15(21)17-8-6-7-14(13-22-5)18-20-11-9-19(4)10-12-20/h14,18H,6-13H2,1-5H3,(H,17,21)
InChIKeyMJRVIXZYRXCILU-UHFFFAOYSA-N
XLogP1.06
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[5-methoxy-4-[(4-methylpiperazin-1-yl)amino]pentyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate
CID 103386966
tert-butyl N-[4-(3,3-dimethylbutan-2-ylamino)-5-methoxypentyl]carbamate
CID 103390924
tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate
CID 103386975
tert-butyl N-[4-[(2-hydroxy-2-methylpropyl)amino]-5-methoxypentyl]carbamate
CID 103390147
tert-butyl N-[4-(cyclopent-3-en-1-ylamino)-5-methoxypentyl]carbamate
CID 103390972
tert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate
CID 103387806
tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 103387404
tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate
CID 103390094
tert-butyl N-[4-[2-[ethyl(methyl)amino]ethylamino]-5-methoxypentyl]carbamate
CID 103389814
tert-butyl N-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxypentyl]carbamate
CID 103390318
tert-butyl N-[4-(2-cyanoethylamino)-5-methoxypentyl]carbamate
CID 103387651
tert-butyl N-[4-(2-butoxyethylamino)-5-methoxypentyl]carbamate
CID 103389448

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-methoxy-4-[(4-methylpiperazin-1-yl)amino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-methoxy-4-[(4-methylpiperazin-1-yl)amino]pentyl]carbamate (CID 103390751) is tert-butyl N-[5-methoxy-4-[(4-methylpiperazin-1-yl)amino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-methoxy-4-[(4-methylpiperazin-1-yl)amino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-methoxy-4-[(4-methylpiperazin-1-yl)amino]pentyl]carbamate is COCC(CCCNC(=O)OC(C)(C)C)NN1CCN(C)CC1.
What is the InChIKey of tert-butyl N-[5-methoxy-4-[(4-methylpiperazin-1-yl)amino]pentyl]carbamate?
The InChIKey is MJRVIXZYRXCILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O3/c1-16(2,3)23-15(21)17-8-6-7-14(13-22-5)18-20-11-9-19(4)10-12-20/h14,18H,6-13H2,1-5H3,(H,17,21).
What are the key properties of tert-butyl N-[5-methoxy-4-[(4-methylpiperazin-1-yl)amino]pentyl]carbamate?
tert-butyl N-[5-methoxy-4-[(4-methylpiperazin-1-yl)amino]pentyl]carbamate has a molecular weight of 330.47 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-methoxy-4-[(4-methylpiperazin-1-yl)amino]pentyl]carbamate is sourced from PubChem (CID 103390751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).