N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-3-piperidin-4-ylpropanamide

C16H31N3O2 — CID 62210223

IUPACN-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-3-piperidin-4-ylpropanamide
SMILESCN1CCC(N(CCO)C(=O)CCC2CCNCC2)CC1
InChIInChI=1S/C16H31N3O2/c1-18-10-6-15(7-11-18)19(12-13-20)16(21)3-2-14-4-8-17-9-5-14/h14-15,17,20H,2-13H2,1H3
InChIKeyNSSVZPGCOIUALB-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.68
Rot. Bonds6

About N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-3-piperidin-4-ylpropanamide

N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-3-piperidin-4-ylpropanamide (PubChem CID 62210223) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-3-piperidin-4-ylpropanamide
PubChem CID62210223
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-3-piperidin-4-ylpropanamide
SMILESCN1CCC(N(CCO)C(=O)CCC2CCNCC2)CC1
InChIInChI=1S/C16H31N3O2/c1-18-10-6-15(7-11-18)19(12-13-20)16(21)3-2-14-4-8-17-9-5-14/h14-15,17,20H,2-13H2,1H3
InChIKeyNSSVZPGCOIUALB-UHFFFAOYSA-N
XLogP0.68
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-cyclopropyl-3-piperidin-4-ylpropanamide
CID 62210210
3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 55121337
3-(4-aminocyclohexyl)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102871199
N-ethyl-3-piperidin-4-yl-N-propylpropanamide
CID 62210157
N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(1-methylpiperidin-4-yl)butanamide
CID 79203320
N-[2-(dimethylamino)ethyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 55227726
N-(cyclopropylmethyl)-3-piperidin-4-yl-N-propylpropanamide
CID 62211914
3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide
CID 62837451
N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 54874074
3-cyclopropyl-N-methyl-N-piperidin-4-ylpropanamide
CID 119441464
N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 66422861
N-methyl-3-piperidin-4-yl-N-propan-2-ylpropanamide
CID 62211368

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-3-piperidin-4-ylpropanamide (CID 62210223) is N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-3-piperidin-4-ylpropanamide is CN1CCC(N(CCO)C(=O)CCC2CCNCC2)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-3-piperidin-4-ylpropanamide?
The InChIKey is NSSVZPGCOIUALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-18-10-6-15(7-11-18)19(12-13-20)16(21)3-2-14-4-8-17-9-5-14/h14-15,17,20H,2-13H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-3-piperidin-4-ylpropanamide?
N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-3-piperidin-4-ylpropanamide has a molecular weight of 297.44 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62210223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).