(4-aminophenyl)-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]methanone

C17H23N5O — CID 89080408

IUPAC(4-aminophenyl)-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]methanone
SMILESCN(Cc1ccn[nH]1)C1CCN(C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C17H23N5O/c1-21(12-15-6-9-19-20-15)16-7-10-22(11-8-16)17(23)13-2-4-14(18)5-3-13/h2-6,9,16H,7-8,10-12,18H2,1H3,(H,19,20)
InChIKeyWIVQKUWKHDYHHE-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.73
Rot. Bonds4

About (4-aminophenyl)-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]methanone

(4-aminophenyl)-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]methanone (PubChem CID 89080408) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is (4-aminophenyl)-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminophenyl)-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]methanone
PubChem CID89080408
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name(4-aminophenyl)-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]methanone
SMILESCN(Cc1ccn[nH]1)C1CCN(C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C17H23N5O/c1-21(12-15-6-9-19-20-15)16-7-10-22(11-8-16)17(23)13-2-4-14(18)5-3-13/h2-6,9,16H,7-8,10-12,18H2,1H3,(H,19,20)
InChIKeyWIVQKUWKHDYHHE-UHFFFAOYSA-N
XLogP1.73
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-aminophenyl)-[4-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone
CID 89080422
(4-aminophenyl)-[4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]piperidin-1-yl]methanone
CID 89185858
4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 125169678
(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 119826621
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 60937139
(4-aminophenyl)-[4-[2-(diethylamino)ethoxy]piperidin-1-yl]methanone
CID 22567487
[4-[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone
CID 131900032
1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 60963126
N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60962899
(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106358
(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916792
(4-aminophenyl)-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119787850

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]methanone?
The IUPAC name of (4-aminophenyl)-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]methanone (CID 89080408) is (4-aminophenyl)-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (4-aminophenyl)-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (4-aminophenyl)-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]methanone is CN(Cc1ccn[nH]1)C1CCN(C(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of (4-aminophenyl)-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]methanone?
The InChIKey is WIVQKUWKHDYHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-21(12-15-6-9-19-20-15)16-7-10-22(11-8-16)17(23)13-2-4-14(18)5-3-13/h2-6,9,16H,7-8,10-12,18H2,1H3,(H,19,20).
What are the key properties of (4-aminophenyl)-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]methanone?
(4-aminophenyl)-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 89080408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).