4-carbamimidoyl-N-cyclopropyl-4-methoxypiperidine-1-carboxamide

C11H20N4O2 — CID 114284396

IUPAC4-carbamimidoyl-N-cyclopropyl-4-methoxypiperidine-1-carboxamide
SMILES[H]/N=C(\N)C1(OC)CCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C11H20N4O2/c1-17-11(9(12)13)4-6-15(7-5-11)10(16)14-8-2-3-8/h8H,2-7H2,1H3,(H3,12,13)(H,14,16)
InChIKeyZXNIHXAXNADKTJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.28
Rot. Bonds3

About 4-carbamimidoyl-N-cyclopropyl-4-methoxypiperidine-1-carboxamide

4-carbamimidoyl-N-cyclopropyl-4-methoxypiperidine-1-carboxamide (PubChem CID 114284396) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-carbamimidoyl-N-cyclopropyl-4-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound Name4-carbamimidoyl-N-cyclopropyl-4-methoxypiperidine-1-carboxamide
PubChem CID114284396
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-carbamimidoyl-N-cyclopropyl-4-methoxypiperidine-1-carboxamide
SMILES[H]/N=C(\N)C1(OC)CCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C11H20N4O2/c1-17-11(9(12)13)4-6-15(7-5-11)10(16)14-8-2-3-8/h8H,2-7H2,1H3,(H3,12,13)(H,14,16)
InChIKeyZXNIHXAXNADKTJ-UHFFFAOYSA-N
XLogP0.28
TPSA91.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide
CID 107162744
1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123468
N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404102
3-amino-N-cyclopropyl-4,4-dimethylpiperidine-1-carboxamide
CID 115269980
methyl 4-[[4-(4-carbamimidoylphenyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylate
CID 19391434
4-methyl-1-[(4-propan-2-yloxycyclohexyl)carbamoyl]piperidine-4-carboxylic acid
CID 167930653
4-[[4-(methoxymethyl)-4-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023688
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
1-[(4-methoxycyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122017394
N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
CID 79152452
N-[4-(methylamino)cyclohexyl]piperidine-1-carboxamide
CID 79156160
N-cyclopropyl-4-(dimethylamino)piperidine-1-carboxamide
CID 115580147

Frequently Asked Questions

What is the IUPAC name of 4-carbamimidoyl-N-cyclopropyl-4-methoxypiperidine-1-carboxamide?
The IUPAC name of 4-carbamimidoyl-N-cyclopropyl-4-methoxypiperidine-1-carboxamide (CID 114284396) is 4-carbamimidoyl-N-cyclopropyl-4-methoxypiperidine-1-carboxamide.
What is the SMILES notation for 4-carbamimidoyl-N-cyclopropyl-4-methoxypiperidine-1-carboxamide?
The canonical SMILES for 4-carbamimidoyl-N-cyclopropyl-4-methoxypiperidine-1-carboxamide is [H]/N=C(\N)C1(OC)CCN(C(=O)NC2CC2)CC1.
What is the InChIKey of 4-carbamimidoyl-N-cyclopropyl-4-methoxypiperidine-1-carboxamide?
The InChIKey is ZXNIHXAXNADKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-17-11(9(12)13)4-6-15(7-5-11)10(16)14-8-2-3-8/h8H,2-7H2,1H3,(H3,12,13)(H,14,16).
What are the key properties of 4-carbamimidoyl-N-cyclopropyl-4-methoxypiperidine-1-carboxamide?
4-carbamimidoyl-N-cyclopropyl-4-methoxypiperidine-1-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamimidoyl-N-cyclopropyl-4-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 114284396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).