2-amino-N-[(5R)-5-[4-(3,5-dichlorophenoxy)piperidine-1-carbonyl]pyrrolidin-3-yl]acetamide

C18H24Cl2N4O3 — CID 70175516

IUPAC2-amino-N-[(5R)-5-[4-(3,5-dichlorophenoxy)piperidine-1-carbonyl]pyrrolidin-3-yl]acetamide
SMILESNCC(=O)NC1CN[C@@H](C(=O)N2CCC(Oc3cc(Cl)cc(Cl)c3)CC2)C1
InChIInChI=1S/C18H24Cl2N4O3/c19-11-5-12(20)7-15(6-11)27-14-1-3-24(4-2-14)18(26)16-8-13(10-22-16)23-17(25)9-21/h5-7,13-14,16,22H,1-4,8-10,21H2,(H,23,25)/t13?,16-/m1/s1
InChIKeyHATBCFVJSKLCTM-FQNRMIAFSA-N
MW415.32 g/mol
LogP1.17
Rot. Bonds5

About 2-amino-N-[(5R)-5-[4-(3,5-dichlorophenoxy)piperidine-1-carbonyl]pyrrolidin-3-yl]acetamide

2-amino-N-[(5R)-5-[4-(3,5-dichlorophenoxy)piperidine-1-carbonyl]pyrrolidin-3-yl]acetamide (PubChem CID 70175516) has the molecular formula C18H24Cl2N4O3 and a molecular weight of 415.32 g/mol. Its IUPAC name is 2-amino-N-[(5R)-5-[4-(3,5-dichlorophenoxy)piperidine-1-carbonyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(5R)-5-[4-(3,5-dichlorophenoxy)piperidine-1-carbonyl]pyrrolidin-3-yl]acetamide
PubChem CID70175516
Molecular FormulaC18H24Cl2N4O3
Molecular Weight415.32 g/mol
Exact Mass414.12
IUPAC Name2-amino-N-[(5R)-5-[4-(3,5-dichlorophenoxy)piperidine-1-carbonyl]pyrrolidin-3-yl]acetamide
SMILESNCC(=O)NC1CN[C@@H](C(=O)N2CCC(Oc3cc(Cl)cc(Cl)c3)CC2)C1
InChIInChI=1S/C18H24Cl2N4O3/c19-11-5-12(20)7-15(6-11)27-14-1-3-24(4-2-14)18(26)16-8-13(10-22-16)23-17(25)9-21/h5-7,13-14,16,22H,1-4,8-10,21H2,(H,23,25)/t13?,16-/m1/s1
InChIKeyHATBCFVJSKLCTM-FQNRMIAFSA-N
XLogP1.17
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-aminoacetyl)amino]-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 21341689
2-amino-N-[(3S,5S)-5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetamide
CID 67506586
(4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 60858034
(2S,4R)-4-[(2-aminoacetyl)amino]-N-[5-(4-chlorophenyl)thiolan-3-yl]pyrrolidine-2-carboxamide
CID 57084869
(2S,4R)-4-[(2-aminoacetyl)amino]-N-(4-benzylphenyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 70176445
4-(3-chlorophenoxy)piperidine-1-carboxylic acid
CID 22353407
(3,5-dichlorophenyl)methyl 4-[4-(1H-imidazol-5-yl)phenoxy]piperidine-1-carboxylate
CID 167527990
2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide
CID 119891153
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119898039
(4-cyclobutyl-1,4-diazepan-1-yl)-[(2S,4S)-4-(3,4-dichlorophenoxy)pyrrolidin-2-yl]methanone
CID 44601156
(2S)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine
CID 70177013
tert-butyl 3-(3-amino-5-chlorophenoxy)pyrrolidine-1-carboxylate
CID 164584435

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5R)-5-[4-(3,5-dichlorophenoxy)piperidine-1-carbonyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-amino-N-[(5R)-5-[4-(3,5-dichlorophenoxy)piperidine-1-carbonyl]pyrrolidin-3-yl]acetamide (CID 70175516) is 2-amino-N-[(5R)-5-[4-(3,5-dichlorophenoxy)piperidine-1-carbonyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-amino-N-[(5R)-5-[4-(3,5-dichlorophenoxy)piperidine-1-carbonyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-amino-N-[(5R)-5-[4-(3,5-dichlorophenoxy)piperidine-1-carbonyl]pyrrolidin-3-yl]acetamide is NCC(=O)NC1CN[C@@H](C(=O)N2CCC(Oc3cc(Cl)cc(Cl)c3)CC2)C1.
What is the InChIKey of 2-amino-N-[(5R)-5-[4-(3,5-dichlorophenoxy)piperidine-1-carbonyl]pyrrolidin-3-yl]acetamide?
The InChIKey is HATBCFVJSKLCTM-FQNRMIAFSA-N. The full InChI is InChI=1S/C18H24Cl2N4O3/c19-11-5-12(20)7-15(6-11)27-14-1-3-24(4-2-14)18(26)16-8-13(10-22-16)23-17(25)9-21/h5-7,13-14,16,22H,1-4,8-10,21H2,(H,23,25)/t13?,16-/m1/s1.
What are the key properties of 2-amino-N-[(5R)-5-[4-(3,5-dichlorophenoxy)piperidine-1-carbonyl]pyrrolidin-3-yl]acetamide?
2-amino-N-[(5R)-5-[4-(3,5-dichlorophenoxy)piperidine-1-carbonyl]pyrrolidin-3-yl]acetamide has a molecular weight of 415.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5R)-5-[4-(3,5-dichlorophenoxy)piperidine-1-carbonyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70175516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).