tert-butyl 4-[2-(1-methoxypropan-2-ylamino)acetyl]piperazine-1-carboxylate

C15H29N3O4 — CID 103711034

IUPACtert-butyl 4-[2-(1-methoxypropan-2-ylamino)acetyl]piperazine-1-carboxylate
SMILESCOCC(C)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O4/c1-12(11-21-5)16-10-13(19)17-6-8-18(9-7-17)14(20)22-15(2,3)4/h12,16H,6-11H2,1-5H3
InChIKeyVWRPMKSXFVAZDH-UHFFFAOYSA-N
MW315.41 g/mol
LogP0.69
Rot. Bonds5

About tert-butyl 4-[2-(1-methoxypropan-2-ylamino)acetyl]piperazine-1-carboxylate

tert-butyl 4-[2-(1-methoxypropan-2-ylamino)acetyl]piperazine-1-carboxylate (PubChem CID 103711034) has the molecular formula C15H29N3O4 and a molecular weight of 315.41 g/mol. Its IUPAC name is tert-butyl 4-[2-(1-methoxypropan-2-ylamino)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(1-methoxypropan-2-ylamino)acetyl]piperazine-1-carboxylate
PubChem CID103711034
Molecular FormulaC15H29N3O4
Molecular Weight315.41 g/mol
Exact Mass315.22
IUPAC Nametert-butyl 4-[2-(1-methoxypropan-2-ylamino)acetyl]piperazine-1-carboxylate
SMILESCOCC(C)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O4/c1-12(11-21-5)16-10-13(19)17-6-8-18(9-7-17)14(20)22-15(2,3)4/h12,16H,6-11H2,1-5H3
InChIKeyVWRPMKSXFVAZDH-UHFFFAOYSA-N
XLogP0.69
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate
CID 103778322
tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate
CID 129370784
methyl 4-[2-(butan-2-ylamino)acetyl]piperazine-1-carboxylate
CID 54916418
tert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate
CID 141354092
tert-butyl 4-(2-bromoacetyl)piperazine-1-carboxylate
CID 15829155
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-methoxypropan-2-ylamino)ethanone
CID 126807670
tert-butyl 4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 103765978
tert-butyl 4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 104537831
tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride
CID 54759044
tert-butyl 4-[(2S)-3-methoxy-2-methyl-3-oxopropyl]piperazine-1-carboxylate
CID 25418682
tert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate
CID 106992256
tert-butyl 4-[2-(cyclopropanecarbonylamino)acetyl]-1,4-diazepane-1-carboxylate
CID 95752747

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(1-methoxypropan-2-ylamino)acetyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(1-methoxypropan-2-ylamino)acetyl]piperazine-1-carboxylate (CID 103711034) is tert-butyl 4-[2-(1-methoxypropan-2-ylamino)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(1-methoxypropan-2-ylamino)acetyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(1-methoxypropan-2-ylamino)acetyl]piperazine-1-carboxylate is COCC(C)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-(1-methoxypropan-2-ylamino)acetyl]piperazine-1-carboxylate?
The InChIKey is VWRPMKSXFVAZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O4/c1-12(11-21-5)16-10-13(19)17-6-8-18(9-7-17)14(20)22-15(2,3)4/h12,16H,6-11H2,1-5H3.
What are the key properties of tert-butyl 4-[2-(1-methoxypropan-2-ylamino)acetyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(1-methoxypropan-2-ylamino)acetyl]piperazine-1-carboxylate has a molecular weight of 315.41 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(1-methoxypropan-2-ylamino)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 103711034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).