tert-butyl 4-[[5-(phenylmethoxyamino)piperidine-2-carbonyl]amino]piperidine-1-carboxylate

C23H36N4O4 — CID 123544484

IUPACtert-butyl 4-[[5-(phenylmethoxyamino)piperidine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)C2CCC(NOCc3ccccc3)CN2)CC1
InChIInChI=1S/C23H36N4O4/c1-23(2,3)31-22(29)27-13-11-18(12-14-27)25-21(28)20-10-9-19(15-24-20)26-30-16-17-7-5-4-6-8-17/h4-8,18-20,24,26H,9-16H2,1-3H3,(H,25,28)
InChIKeyNXJGTDLTIKJCMQ-UHFFFAOYSA-N
MW432.57 g/mol
LogP2.34
Rot. Bonds6

About tert-butyl 4-[[5-(phenylmethoxyamino)piperidine-2-carbonyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[5-(phenylmethoxyamino)piperidine-2-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 123544484) has the molecular formula C23H36N4O4 and a molecular weight of 432.57 g/mol. Its IUPAC name is tert-butyl 4-[[5-(phenylmethoxyamino)piperidine-2-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[5-(phenylmethoxyamino)piperidine-2-carbonyl]amino]piperidine-1-carboxylate
PubChem CID123544484
Molecular FormulaC23H36N4O4
Molecular Weight432.57 g/mol
Exact Mass432.27
IUPAC Nametert-butyl 4-[[5-(phenylmethoxyamino)piperidine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)C2CCC(NOCc3ccccc3)CN2)CC1
InChIInChI=1S/C23H36N4O4/c1-23(2,3)31-22(29)27-13-11-18(12-14-27)25-21(28)20-10-9-19(15-24-20)26-30-16-17-7-5-4-6-8-17/h4-8,18-20,24,26H,9-16H2,1-3H3,(H,25,28)
InChIKeyNXJGTDLTIKJCMQ-UHFFFAOYSA-N
XLogP2.34
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 76534506
tert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate
CID 82709692
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid
CID 87217512
tert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate
CID 126709456
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxamide;dihydrochloride
CID 156834463
benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 70673934
ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 134692711
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid
CID 130300136
benzyl (2R,5S)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acid
CID 175022601
(2R,5S)-5-hydroxy-N-[1-(phenylmethoxycarbamoyl)piperidin-4-yl]piperazine-2-carboxamide
CID 174859503
tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
CID 58602980
tert-butyl 4-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]piperidine-1-carboxylate
CID 23624856

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-(phenylmethoxyamino)piperidine-2-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[5-(phenylmethoxyamino)piperidine-2-carbonyl]amino]piperidine-1-carboxylate (CID 123544484) is tert-butyl 4-[[5-(phenylmethoxyamino)piperidine-2-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[5-(phenylmethoxyamino)piperidine-2-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[5-(phenylmethoxyamino)piperidine-2-carbonyl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)C2CCC(NOCc3ccccc3)CN2)CC1.
What is the InChIKey of tert-butyl 4-[[5-(phenylmethoxyamino)piperidine-2-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is NXJGTDLTIKJCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O4/c1-23(2,3)31-22(29)27-13-11-18(12-14-27)25-21(28)20-10-9-19(15-24-20)26-30-16-17-7-5-4-6-8-17/h4-8,18-20,24,26H,9-16H2,1-3H3,(H,25,28).
What are the key properties of tert-butyl 4-[[5-(phenylmethoxyamino)piperidine-2-carbonyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[5-(phenylmethoxyamino)piperidine-2-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 432.57 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[5-(phenylmethoxyamino)piperidine-2-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 123544484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).