[(3R)-3-aminopiperidin-1-yl]-[2-[bis(methylideneamino)amino]phenyl]methanone

C14H19N5O — CID 144636179

IUPAC[(3R)-3-aminopiperidin-1-yl]-[2-[bis(methylideneamino)amino]phenyl]methanone
SMILESC=NN(N=C)c1ccccc1C(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C14H19N5O/c1-16-19(17-2)13-8-4-3-7-12(13)14(20)18-9-5-6-11(15)10-18/h3-4,7-8,11H,1-2,5-6,9-10,15H2/t11-/m1/s1
InChIKeyMRKMLWPZPYNLNY-LLVKDONJSA-N
MW273.34 g/mol
LogP1.29
Rot. Bonds4

About [(3R)-3-aminopiperidin-1-yl]-[2-[bis(methylideneamino)amino]phenyl]methanone

[(3R)-3-aminopiperidin-1-yl]-[2-[bis(methylideneamino)amino]phenyl]methanone (PubChem CID 144636179) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-[bis(methylideneamino)amino]phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[2-[bis(methylideneamino)amino]phenyl]methanone
PubChem CID144636179
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[2-[bis(methylideneamino)amino]phenyl]methanone
SMILESC=NN(N=C)c1ccccc1C(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C14H19N5O/c1-16-19(17-2)13-8-4-3-7-12(13)14(20)18-9-5-6-11(15)10-18/h3-4,7-8,11H,1-2,5-6,9-10,15H2/t11-/m1/s1
InChIKeyMRKMLWPZPYNLNY-LLVKDONJSA-N
XLogP1.29
TPSA74.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
(3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119381620
3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129493140
[(3R)-3-aminopiperidin-1-yl]-[2-(benzenesulfonylmethyl)phenyl]methanone
CID 124593236
[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride
CID 119934556
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
(3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride
CID 119378772
2-[1-(2-aminobenzoyl)piperidin-3-yl]acetic acid
CID 55105002
(3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 119379268

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[bis(methylideneamino)amino]phenyl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[bis(methylideneamino)amino]phenyl]methanone (CID 144636179) is [(3R)-3-aminopiperidin-1-yl]-[2-[bis(methylideneamino)amino]phenyl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[2-[bis(methylideneamino)amino]phenyl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[2-[bis(methylideneamino)amino]phenyl]methanone is C=NN(N=C)c1ccccc1C(=O)N1CCC[C@@H](N)C1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-[bis(methylideneamino)amino]phenyl]methanone?
The InChIKey is MRKMLWPZPYNLNY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5O/c1-16-19(17-2)13-8-4-3-7-12(13)14(20)18-9-5-6-11(15)10-18/h3-4,7-8,11H,1-2,5-6,9-10,15H2/t11-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-[bis(methylideneamino)amino]phenyl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[2-[bis(methylideneamino)amino]phenyl]methanone has a molecular weight of 273.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[2-[bis(methylideneamino)amino]phenyl]methanone is sourced from PubChem (CID 144636179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).