[(3R)-3-aminopiperidin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone

C17H25N3O2 — CID 124594256

IUPAC[(3R)-3-aminopiperidin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone
SMILESN[C@@H]1CCCN(C(=O)c2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C17H25N3O2/c18-16-2-1-7-20(13-16)17(21)15-5-3-14(4-6-15)12-19-8-10-22-11-9-19/h3-6,16H,1-2,7-13,18H2/t16-/m1/s1
InChIKeyMHQFEWOSEHIYRD-MRXNPFEDSA-N
MW303.41 g/mol
LogP1.08
Rot. Bonds3

About [(3R)-3-aminopiperidin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone

[(3R)-3-aminopiperidin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone (PubChem CID 124594256) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone
PubChem CID124594256
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone
SMILESN[C@@H]1CCCN(C(=O)c2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C17H25N3O2/c18-16-2-1-7-20(13-16)17(21)15-5-3-14(4-6-15)12-19-8-10-22-11-9-19/h3-6,16H,1-2,7-13,18H2/t16-/m1/s1
InChIKeyMHQFEWOSEHIYRD-MRXNPFEDSA-N
XLogP1.08
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorobenzoyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24549508
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 167833927
4-[(3-aminopiperidin-1-yl)methyl]benzamide
CID 61295537
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 125147330
[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 119277068
(3-aminopiperidin-1-yl)-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanone
CID 119380499
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 55845372
(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 75526663
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride
CID 119380611
4-(4-cyclopropylpiperazine-1-carbonyl)benzaldehyde;(4-cyclopropylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 158582879

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone (CID 124594256) is [(3R)-3-aminopiperidin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone is N[C@@H]1CCCN(C(=O)c2ccc(CN3CCOCC3)cc2)C1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is MHQFEWOSEHIYRD-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N3O2/c18-16-2-1-7-20(13-16)17(21)15-5-3-14(4-6-15)12-19-8-10-22-11-9-19/h3-6,16H,1-2,7-13,18H2/t16-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 303.41 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 124594256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).