N-(3-amino-3-iminopropyl)piperidine-4-carboxamide

C9H18N4O — CID 130388646

IUPACN-(3-amino-3-iminopropyl)piperidine-4-carboxamide
SMILES[H]/N=C(\N)CCNC(=O)C1CCNCC1
InChIInChI=1S/C9H18N4O/c10-8(11)3-6-13-9(14)7-1-4-12-5-2-7/h7,12H,1-6H2,(H3,10,11)(H,13,14)
InChIKeyHTVJLCSUXVERBA-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.57
Rot. Bonds4

About N-(3-amino-3-iminopropyl)piperidine-4-carboxamide

N-(3-amino-3-iminopropyl)piperidine-4-carboxamide (PubChem CID 130388646) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(3-amino-3-iminopropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-iminopropyl)piperidine-4-carboxamide
PubChem CID130388646
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC NameN-(3-amino-3-iminopropyl)piperidine-4-carboxamide
SMILES[H]/N=C(\N)CCNC(=O)C1CCNCC1
InChIInChI=1S/C9H18N4O/c10-8(11)3-6-13-9(14)7-1-4-12-5-2-7/h7,12H,1-6H2,(H3,10,11)(H,13,14)
InChIKeyHTVJLCSUXVERBA-UHFFFAOYSA-N
XLogP-0.57
TPSA91.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
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

1-(2-Piperidin-4-ylethanimidoyl)pyrrolidin-2-one
CID 57157468
1-Propanoylpiperidine-4-carboximidamide
CID 89145196
N-(3-amino-3-iminopropyl)-1-methylpiperidine-4-carboxamide
CID 90084974
N-[2-(1-aminoethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide
CID 90084985
1-(2-Methylpropanoyl)piperidine-4-carboximidamide
CID 99975645
(1-Amino-2-methylpropylidene)-(piperidine-4-carbonyl)azanium
CID 144413215
1-Aminopropylidene(piperidine-4-carbonyl)azanium
CID 144413235
1-methyl-N-(2-methylpropanimidoyl)piperidine-4-carboxamide
CID 145380383
3-Carbamimidoylpiperidine-4-carboxamide
CID 153733119
N-ethanimidoyl-1-methylpiperidine-4-carboxamide
CID 163374126
1-Butanoylpiperidine-4-carboximidamide;molecular hydrogen
CID 170758828
2-methyl-N-(piperidine-4-carboximidoyl)propanamide
CID 173465793

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-iminopropyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-amino-3-iminopropyl)piperidine-4-carboxamide (CID 130388646) is N-(3-amino-3-iminopropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-iminopropyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-amino-3-iminopropyl)piperidine-4-carboxamide is [H]/N=C(\N)CCNC(=O)C1CCNCC1.
What is the InChIKey of N-(3-amino-3-iminopropyl)piperidine-4-carboxamide?
The InChIKey is HTVJLCSUXVERBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c10-8(11)3-6-13-9(14)7-1-4-12-5-2-7/h7,12H,1-6H2,(H3,10,11)(H,13,14).
What are the key properties of N-(3-amino-3-iminopropyl)piperidine-4-carboxamide?
N-(3-amino-3-iminopropyl)piperidine-4-carboxamide has a molecular weight of 198.27 g/mol, XLogP of -0.57, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-iminopropyl)piperidine-4-carboxamide is sourced from PubChem (CID 130388646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).