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

C20H29N3O2 — CID 119621646

IUPACN-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCC(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C20H29N3O2/c24-19(14-16-4-2-1-3-5-16)21-11-8-20(25)23-12-9-18(10-13-23)22-15-17-6-7-17/h1-5,17-18,22H,6-15H2,(H,21,24)
InChIKeyWRYSHQGQCDMZTR-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.73
Rot. Bonds8

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

N-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide (PubChem CID 119621646) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
PubChem CID119621646
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCC(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C20H29N3O2/c24-19(14-16-4-2-1-3-5-16)21-11-8-20(25)23-12-9-18(10-13-23)22-15-17-6-7-17/h1-5,17-18,22H,6-15H2,(H,21,24)
InChIKeyWRYSHQGQCDMZTR-UHFFFAOYSA-N
XLogP1.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 119542661
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride
CID 119644211
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-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119623158
2-(4-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119623627
3-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119623707
1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride
CID 119561837
benzyl (3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylate
CID 168979000
2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]sulfanyl-1-phenylethanone
CID 119622419
2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119623852

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide?
The IUPAC name of N-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide (CID 119621646) is N-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCC(=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of N-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide?
The InChIKey is WRYSHQGQCDMZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(14-16-4-2-1-3-5-16)21-11-8-20(25)23-12-9-18(10-13-23)22-15-17-6-7-17/h1-5,17-18,22H,6-15H2,(H,21,24).
What are the key properties of N-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide?
N-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide has a molecular weight of 343.47 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide is sourced from PubChem (CID 119621646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).