[formyl-[1-methyl-6-[(piperidine-3-carbonylamino)carbamoyl]piperidin-3-yl]amino] hydrogen sulfate

C14H25N5O7S — CID 123866850

IUPAC[formyl-[1-methyl-6-[(piperidine-3-carbonylamino)carbamoyl]piperidin-3-yl]amino] hydrogen sulfate
SMILESCN1CC(N(C=O)OS(=O)(=O)O)CCC1C(=O)NNC(=O)C1CCCNC1
InChIInChI=1S/C14H25N5O7S/c1-18-8-11(19(9-20)26-27(23,24)25)4-5-12(18)14(22)17-16-13(21)10-3-2-6-15-7-10/h9-12,15H,2-8H2,1H3,(H,16,21)(H,17,22)(H,23,24,25)
InChIKeyDFCUMORBFGJIEU-UHFFFAOYSA-N
MW407.45 g/mol
LogP-2.21
Rot. Bonds6

About [formyl-[1-methyl-6-[(piperidine-3-carbonylamino)carbamoyl]piperidin-3-yl]amino] hydrogen sulfate

[formyl-[1-methyl-6-[(piperidine-3-carbonylamino)carbamoyl]piperidin-3-yl]amino] hydrogen sulfate (PubChem CID 123866850) has the molecular formula C14H25N5O7S and a molecular weight of 407.45 g/mol. Its IUPAC name is [formyl-[1-methyl-6-[(piperidine-3-carbonylamino)carbamoyl]piperidin-3-yl]amino] hydrogen sulfate.

Molecular Properties

Compound Name[formyl-[1-methyl-6-[(piperidine-3-carbonylamino)carbamoyl]piperidin-3-yl]amino] hydrogen sulfate
PubChem CID123866850
Molecular FormulaC14H25N5O7S
Molecular Weight407.45 g/mol
Exact Mass407.15
IUPAC Name[formyl-[1-methyl-6-[(piperidine-3-carbonylamino)carbamoyl]piperidin-3-yl]amino] hydrogen sulfate
SMILESCN1CC(N(C=O)OS(=O)(=O)O)CCC1C(=O)NNC(=O)C1CCCNC1
InChIInChI=1S/C14H25N5O7S/c1-18-8-11(19(9-20)26-27(23,24)25)4-5-12(18)14(22)17-16-13(21)10-3-2-6-15-7-10/h9-12,15H,2-8H2,1H3,(H,16,21)(H,17,22)(H,23,24,25)
InChIKeyDFCUMORBFGJIEU-UHFFFAOYSA-N
XLogP-2.21
TPSA157.38 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 5-2.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze [formyl-[1-methyl-6-[(piperidine-3-carbonylamino)carbamoyl]piperidin-3-yl]amino] hydrogen sulfate 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

N'-pentanoylpiperidine-3-carbohydrazide
CID 91467996
[(5R)-7-oxo-2-[(pyrrolidine-3-carbonylamino)carbamoyl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 123783512
C14H21N4O7S
CID 156588676
(3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide
CID 81123219
(1-methylpyrrolidin-3-yl)-piperidin-3-ylmethanone
CID 116916955
ethane;(3R)-N-methylpiperidine-3-carboxamide
CID 145422305
N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-3-carboxamide
CID 103796632
N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-3-carboxamide;hydrochloride
CID 119322684
ethane;piperidine-3-carbohydrazide
CID 143869941
[(4S)-3-ethyl-2-oxo-4-[[[(3R)-pyrrolidine-3-carbonyl]amino]carbamoyl]-1,3-diazinan-1-yl] hydrogen sulfate
CID 138718953
N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 43371173
(3S)-N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 81123262

Frequently Asked Questions

What is the IUPAC name of [formyl-[1-methyl-6-[(piperidine-3-carbonylamino)carbamoyl]piperidin-3-yl]amino] hydrogen sulfate?
The IUPAC name of [formyl-[1-methyl-6-[(piperidine-3-carbonylamino)carbamoyl]piperidin-3-yl]amino] hydrogen sulfate (CID 123866850) is [formyl-[1-methyl-6-[(piperidine-3-carbonylamino)carbamoyl]piperidin-3-yl]amino] hydrogen sulfate.
What is the SMILES notation for [formyl-[1-methyl-6-[(piperidine-3-carbonylamino)carbamoyl]piperidin-3-yl]amino] hydrogen sulfate?
The canonical SMILES for [formyl-[1-methyl-6-[(piperidine-3-carbonylamino)carbamoyl]piperidin-3-yl]amino] hydrogen sulfate is CN1CC(N(C=O)OS(=O)(=O)O)CCC1C(=O)NNC(=O)C1CCCNC1.
What is the InChIKey of [formyl-[1-methyl-6-[(piperidine-3-carbonylamino)carbamoyl]piperidin-3-yl]amino] hydrogen sulfate?
The InChIKey is DFCUMORBFGJIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O7S/c1-18-8-11(19(9-20)26-27(23,24)25)4-5-12(18)14(22)17-16-13(21)10-3-2-6-15-7-10/h9-12,15H,2-8H2,1H3,(H,16,21)(H,17,22)(H,23,24,25).
What are the key properties of [formyl-[1-methyl-6-[(piperidine-3-carbonylamino)carbamoyl]piperidin-3-yl]amino] hydrogen sulfate?
[formyl-[1-methyl-6-[(piperidine-3-carbonylamino)carbamoyl]piperidin-3-yl]amino] hydrogen sulfate has a molecular weight of 407.45 g/mol, XLogP of -2.21, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [formyl-[1-methyl-6-[(piperidine-3-carbonylamino)carbamoyl]piperidin-3-yl]amino] hydrogen sulfate is sourced from PubChem (CID 123866850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).