N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide

C18H27N3O2 — CID 119542661

IUPACN-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
SMILESCNCC1CCN(C(=O)CCNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-19-14-16-8-11-21(12-9-16)18(23)7-10-20-17(22)13-15-5-3-2-4-6-15/h2-6,16,19H,7-14H2,1H3,(H,20,22)
InChIKeyBZMIXJQMWDUUQJ-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.19
Rot. Bonds7

About N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide

N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide (PubChem CID 119542661) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
PubChem CID119542661
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
SMILESCNCC1CCN(C(=O)CCNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-19-14-16-8-11-21(12-9-16)18(23)7-10-20-17(22)13-15-5-3-2-4-6-15/h2-6,16,19H,7-14H2,1H3,(H,20,22)
InChIKeyBZMIXJQMWDUUQJ-UHFFFAOYSA-N
XLogP1.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride
CID 119644211
N-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 119621646
N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 136578286
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 119516744
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119546157
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 55168474
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119644723
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119260619
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119545241
1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride
CID 119542656
5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide
CID 119546405

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide?
The IUPAC name of N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide (CID 119542661) is N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide is CNCC1CCN(C(=O)CCNC(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide?
The InChIKey is BZMIXJQMWDUUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-19-14-16-8-11-21(12-9-16)18(23)7-10-20-17(22)13-15-5-3-2-4-6-15/h2-6,16,19H,7-14H2,1H3,(H,20,22).
What are the key properties of N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide?
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide has a molecular weight of 317.43 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide is sourced from PubChem (CID 119542661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).