CID 91238325

C17H32N3O2- — CID 91238325

IUPAC—
SMILESCN1CCCN(C(=O)OC(C)(C)CC2C[CH-]CCNC2)CC1
InChIInChI=1S/C17H32N3O2/c1-17(2,13-15-7-4-5-8-18-14-15)22-16(21)20-10-6-9-19(3)11-12-20/h4,15,18H,5-14H2,1-3H3/q-1
InChIKeyPWPUSWGKFMYVNK-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.13
Rot. Bonds3

About CID 91238325

CID 91238325 (PubChem CID 91238325) has the molecular formula C17H32N3O2- and a molecular weight of 310.46 g/mol.

Molecular Properties

Compound NameCID 91238325
PubChem CID91238325
Molecular FormulaC17H32N3O2-
Molecular Weight310.46 g/mol
Exact Mass310.25
IUPAC Name—
SMILESCN1CCCN(C(=O)OC(C)(C)CC2C[CH-]CCNC2)CC1
InChIInChI=1S/C17H32N3O2/c1-17(2,13-15-7-4-5-8-18-14-15)22-16(21)20-10-6-9-19(3)11-12-20/h4,15,18H,5-14H2,1-3H3/q-1
InChIKeyPWPUSWGKFMYVNK-UHFFFAOYSA-N
XLogP2.13
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 91238325 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

(2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate
CID 175439126
tert-butyl 5-methyl-1,5-diazocane-1-carboxylate
CID 170409764
(4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate
CID 118031632
(2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate
CID 162689657
bis(tert-butyl 4-(piperidin-3-ylmethyl)piperazine-1-carboxylate);oxalic acid
CID 56773553
(1-amino-2-methylpropan-2-yl) 1,4-diazepane-1-carboxylate
CID 154966126
tert-butyl 4-piperidin-3-yl-1,4-diazepane-1-carboxylate
CID 82564765
(4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate
CID 70917063
tert-butyl 3,3-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]piperazine-1-carboxylate
CID 171641647
(4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone
CID 56887195
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate
CID 107241583

Frequently Asked Questions

What is the IUPAC name of CID 91238325?
The IUPAC name of CID 91238325 (CID 91238325) is not available.
What is the SMILES notation for CID 91238325?
The canonical SMILES for CID 91238325 is CN1CCCN(C(=O)OC(C)(C)CC2C[CH-]CCNC2)CC1.
What is the InChIKey of CID 91238325?
The InChIKey is PWPUSWGKFMYVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N3O2/c1-17(2,13-15-7-4-5-8-18-14-15)22-16(21)20-10-6-9-19(3)11-12-20/h4,15,18H,5-14H2,1-3H3/q-1.
What are the key properties of CID 91238325?
CID 91238325 has a molecular weight of 310.46 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91238325 is sourced from PubChem (CID 91238325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).