N-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]carbamate

C11H20N3O3- — CID 23153551

IUPACN-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]carbamate
SMILESCN(C)CCC(=O)N1CCC(NC(=O)[O-])CC1
InChIInChI=1S/C11H21N3O3/c1-13(2)6-5-10(15)14-7-3-9(4-8-14)12-11(16)17/h9,12H,3-8H2,1-2H3,(H,16,17)/p-1
InChIKeyNVNDVKJSDXORFB-UHFFFAOYSA-M
MW242.30 g/mol
LogP-1.14
Rot. Bonds4

About N-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]carbamate

N-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]carbamate (PubChem CID 23153551) has the molecular formula C11H20N3O3- and a molecular weight of 242.30 g/mol. Its IUPAC name is N-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound NameN-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]carbamate
PubChem CID23153551
Molecular FormulaC11H20N3O3-
Molecular Weight242.30 g/mol
Exact Mass242.15
IUPAC NameN-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]carbamate
SMILESCN(C)CCC(=O)N1CCC(NC(=O)[O-])CC1
InChIInChI=1S/C11H21N3O3/c1-13(2)6-5-10(15)14-7-3-9(4-8-14)12-11(16)17/h9,12H,3-8H2,1-2H3,(H,16,17)/p-1
InChIKeyNVNDVKJSDXORFB-UHFFFAOYSA-M
XLogP-1.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 58662028
1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one
CID 110603330
3-(dimethylamino)-1-[4-(1-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 112537564
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512
2-ethyl-N-(1-pentanoylpiperidin-4-yl)butanamide
CID 110819505
4-(dimethylsulfamoylamino)-1-(4-oxopentanoyl)piperidine
CID 108567103
N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
CID 59803139
CID 59803139
methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
CID 108567119
1,1-diethyl-3-(1-pentanoylpiperidin-4-yl)urea
CID 108566126
5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid
CID 113402147
1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea
CID 110819357

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]carbamate?
The IUPAC name of N-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]carbamate (CID 23153551) is N-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for N-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]carbamate?
The canonical SMILES for N-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]carbamate is CN(C)CCC(=O)N1CCC(NC(=O)[O-])CC1.
What is the InChIKey of N-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]carbamate?
The InChIKey is NVNDVKJSDXORFB-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H21N3O3/c1-13(2)6-5-10(15)14-7-3-9(4-8-14)12-11(16)17/h9,12H,3-8H2,1-2H3,(H,16,17)/p-1.
What are the key properties of N-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]carbamate?
N-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]carbamate has a molecular weight of 242.30 g/mol, XLogP of -1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 23153551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).