tert-butyl 4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)piperidine-1-carboxylate

C15H26N4O3 — CID 11185986

IUPACtert-butyl 4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NC2=NCCCN2)CC1
InChIInChI=1S/C15H26N4O3/c1-15(2,3)22-14(21)19-9-5-11(6-10-19)12(20)18-13-16-7-4-8-17-13/h11H,4-10H2,1-3H3,(H2,16,17,18,20)
InChIKeyPBRXNBZYYZFFMH-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.10
Rot. Bonds1

About tert-butyl 4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)piperidine-1-carboxylate

tert-butyl 4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)piperidine-1-carboxylate (PubChem CID 11185986) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl 4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)piperidine-1-carboxylate
PubChem CID11185986
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Nametert-butyl 4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NC2=NCCCN2)CC1
InChIInChI=1S/C15H26N4O3/c1-15(2,3)22-14(21)19-9-5-11(6-10-19)12(20)18-13-16-7-4-8-17-13/h11H,4-10H2,1-3H3,(H2,16,17,18,20)
InChIKeyPBRXNBZYYZFFMH-UHFFFAOYSA-N
XLogP1.10
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 4-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate
CID 75532958
1-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide
CID 23594197
(4,5-dihydro-1H-imidazol-2-yl)-(piperidine-4-carbonyl)carbamic acid tert-butyl ester
CID 57660945
tert-butyl N-[(4-carbamoylpiperidin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 60075102
4-(1,4,5,6-Tetrahydropyrimidin-2-ylcarbamoyl)piperidine-1-carboxylic acid
CID 69586407
(1-carbamoyl-5,6-dihydro-4H-pyrimidin-2-yl) piperidine-4-carboxylate
CID 91055597
Lithium 1-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]butanoyl]piperidine-4-carboxylate
CID 140463307
tert-butyl N-[[4-(methylcarbamoyl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 174083816
tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carbonyl]carbamate
CID 174559371
tert-butyl (NE)-N-[(4-carbamoylpiperidin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 10133744
tert-butyl (NZ)-N-[(4-carbamoylpiperidin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 22726580
Tert-butyl 4-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 75532957

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)piperidine-1-carboxylate (CID 11185986) is tert-butyl 4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)NC2=NCCCN2)CC1.
What is the InChIKey of tert-butyl 4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is PBRXNBZYYZFFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-15(2,3)22-14(21)19-9-5-11(6-10-19)12(20)18-13-16-7-4-8-17-13/h11H,4-10H2,1-3H3,(H2,16,17,18,20).
What are the key properties of tert-butyl 4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 310.40 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 11185986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).